(4R)-4-(2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl)-N-(3-hydroxy-5-methoxy-3-methyl-2,4-dihydrochromen-4-yl)-3,4-dihydro-2H-chromene-6-carboxamide

C28H34N4O6 — CID 170382456

IUPAC(4R)-4-(2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl)-N-(3-hydroxy-5-methoxy-3-methyl-2,4-dihydrochromen-4-yl)-3,4-dihydro-2H-chromene-6-carboxamide
SMILESCCC1(C)CC(=O)N([C@@H]2CCOc3ccc(C(=O)NC4c5c(OC)cccc5OCC4(C)O)cc32)C(N)=N1
InChIInChI=1S/C28H34N4O6/c1-5-27(2)14-22(33)32(26(29)31-27)18-11-12-37-19-10-9-16(13-17(18)19)25(34)30-24-23-20(36-4)7-6-8-21(23)38-15-28(24,3)35/h6-10,13,18,24,35H,5,11-12,14-15H2,1-4H3,(H2,29,31)(H,30,34)/t18-,24?,27?,28?/m1/s1
InChIKeyMPKBOPNTKSTBBU-ISBMWZOYSA-N
MW522.60 g/mol
LogP2.85
Rot. Bonds5

About (4R)-4-(2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl)-N-(3-hydroxy-5-methoxy-3-methyl-2,4-dihydrochromen-4-yl)-3,4-dihydro-2H-chromene-6-carboxamide

(4R)-4-(2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl)-N-(3-hydroxy-5-methoxy-3-methyl-2,4-dihydrochromen-4-yl)-3,4-dihydro-2H-chromene-6-carboxamide (PubChem CID 170382456) has the molecular formula C28H34N4O6 and a molecular weight of 522.60 g/mol. Its IUPAC name is (4R)-4-(2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl)-N-(3-hydroxy-5-methoxy-3-methyl-2,4-dihydrochromen-4-yl)-3,4-dihydro-2H-chromene-6-carboxamide.

Molecular Properties

Compound Name(4R)-4-(2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl)-N-(3-hydroxy-5-methoxy-3-methyl-2,4-dihydrochromen-4-yl)-3,4-dihydro-2H-chromene-6-carboxamide
PubChem CID170382456
Molecular FormulaC28H34N4O6
Molecular Weight522.60 g/mol
Exact Mass522.25
IUPAC Name(4R)-4-(2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl)-N-(3-hydroxy-5-methoxy-3-methyl-2,4-dihydrochromen-4-yl)-3,4-dihydro-2H-chromene-6-carboxamide
SMILESCCC1(C)CC(=O)N([C@@H]2CCOc3ccc(C(=O)NC4c5c(OC)cccc5OCC4(C)O)cc32)C(N)=N1
InChIInChI=1S/C28H34N4O6/c1-5-27(2)14-22(33)32(26(29)31-27)18-11-12-37-19-10-9-16(13-17(18)19)25(34)30-24-23-20(36-4)7-6-8-21(23)38-15-28(24,3)35/h6-10,13,18,24,35H,5,11-12,14-15H2,1-4H3,(H2,29,31)(H,30,34)/t18-,24?,27?,28?/m1/s1
InChIKeyMPKBOPNTKSTBBU-ISBMWZOYSA-N
XLogP2.85
TPSA135.71 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.60
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (4R)-4-(2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl)-N-(3-hydroxy-5-methoxy-3-methyl-2,4-dihydrochromen-4-yl)-3,4-dihydro-2H-chromene-6-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

ethyl (3S)-3-[[(4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-3,4-dihydro-2H-chromene-6-carbonyl]amino]-2-methyl-3H-1-benzofuran-2-carboxylate
CID 163222320
(4R)-4-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-6-chloro-3-hydroxy-3,8-dimethyl-2,4-dihydrochromen-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide
CID 167660333
(4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-methylsulfanyl-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide
CID 163222172
(4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[6-ethynyl-3-hydroxy-2,2,3-trimethyl-5-[(Z)-prop-1-enyl]-4H-pyran-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide
CID 170379563
(1S,3R)-3-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-methoxy-2,3-dihydro-1H-indene-5-carboxamide;(1R,3S)-3-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-methoxy-2,3-dihydro-1H-indene-5-carboxamide;(3S,4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-methyl-3,4-dihydro-2H-chromene-6-carboxamide;(3R,4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-methyl-3,4-dihydro-2H-chromene-6-carboxamide;bis((4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-(3-hydroxy-2,2,3-trimethyl-4H-chromen-4-yl)-3,4-dihydro-2H-chromene-6-carboxamide)
CID 167556886
(1S,3R)-3-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-methoxy-2,3-dihydro-1H-indene-5-carboxamide;(1R,3S)-3-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-methoxy-2,3-dihydro-1H-indene-5-carboxamide;(3S,4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-methyl-3,4-dihydro-2H-chromene-6-carboxamide;(3R,4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-methyl-3,4-dihydro-2H-chromene-6-carboxamide;(4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-(3-hydroxy-2,2,3-trimethyl-4H-chromen-4-yl)-3,4-dihydro-2H-chromene-6-carboxamide
CID 167668540
(3S,4R)-4-[(4R)-2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl]-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(methoxymethyl)-3,4-dihydro-2H-chromene-6-carboxamide
CID 166005967
3-[1-(2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl)butyl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]benzamide
CID 170264362
(4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-6-chloro-3-hydroxy-3-methyl-2,4-dihydrochromen-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide;(4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-(1,3-diphenylpropyl)-3,4-dihydro-2H-chromene-6-carboxamide;(4R)-4-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1,1-dioxo-3,4-dihydro-2H-thiochromene-6-carboxamide;(4R)-4-[(4R)-2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl]-N-[(2R,4R)-2-(1-fluoroethoxymethyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide;(4R)-4-[(4R)-2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl]-N-[(2S,4R)-2-(1-fluoroethoxymethyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide
CID 167685327
(3S)-3-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2,2-dimethyl-3H-1-benzofuran-5-carboxamide;4-[(4R)-2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl]-N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methoxy-3-methyl-2,4-dihydrochromene-6-carboxamide;bis(4-[(4R)-2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl]-N-[(3S,4R)-3-hydroxy-3-methyl-2,4-dihydrochromen-4-yl]-2-methyl-3,4-dihydro-2H-chromene-6-carboxamide);4-[(4R)-2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl]-N-[(1R,2R)-2-hydroxy-2-methyl-1,3-dihydroinden-1-yl]-3-methoxy-3,4-dihydro-2H-chromene-6-carboxamide
CID 167592369
2-amino-3-[(4R)-6-[[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-hydroxymethyl]-3,4-dihydro-2H-chromen-4-yl]-6,6-diethyl-5H-pyrimidin-4-one
CID 170378606
(2R)-N-[(3S,4R)-3-hydroxy-3-methyl-2,4-dihydrochromen-4-yl]-2-(methoxymethyl)-2-methyl-3H-1-benzofuran-5-carboxamide
CID 167188261

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl)-N-(3-hydroxy-5-methoxy-3-methyl-2,4-dihydrochromen-4-yl)-3,4-dihydro-2H-chromene-6-carboxamide?
The IUPAC name of (4R)-4-(2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl)-N-(3-hydroxy-5-methoxy-3-methyl-2,4-dihydrochromen-4-yl)-3,4-dihydro-2H-chromene-6-carboxamide (CID 170382456) is (4R)-4-(2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl)-N-(3-hydroxy-5-methoxy-3-methyl-2,4-dihydrochromen-4-yl)-3,4-dihydro-2H-chromene-6-carboxamide.
What is the SMILES notation for (4R)-4-(2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl)-N-(3-hydroxy-5-methoxy-3-methyl-2,4-dihydrochromen-4-yl)-3,4-dihydro-2H-chromene-6-carboxamide?
The canonical SMILES for (4R)-4-(2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl)-N-(3-hydroxy-5-methoxy-3-methyl-2,4-dihydrochromen-4-yl)-3,4-dihydro-2H-chromene-6-carboxamide is CCC1(C)CC(=O)N([C@@H]2CCOc3ccc(C(=O)NC4c5c(OC)cccc5OCC4(C)O)cc32)C(N)=N1.
What is the InChIKey of (4R)-4-(2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl)-N-(3-hydroxy-5-methoxy-3-methyl-2,4-dihydrochromen-4-yl)-3,4-dihydro-2H-chromene-6-carboxamide?
The InChIKey is MPKBOPNTKSTBBU-ISBMWZOYSA-N. The full InChI is InChI=1S/C28H34N4O6/c1-5-27(2)14-22(33)32(26(29)31-27)18-11-12-37-19-10-9-16(13-17(18)19)25(34)30-24-23-20(36-4)7-6-8-21(23)38-15-28(24,3)35/h6-10,13,18,24,35H,5,11-12,14-15H2,1-4H3,(H2,29,31)(H,30,34)/t18-,24?,27?,28?/m1/s1.
What are the key properties of (4R)-4-(2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl)-N-(3-hydroxy-5-methoxy-3-methyl-2,4-dihydrochromen-4-yl)-3,4-dihydro-2H-chromene-6-carboxamide?
(4R)-4-(2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl)-N-(3-hydroxy-5-methoxy-3-methyl-2,4-dihydrochromen-4-yl)-3,4-dihydro-2H-chromene-6-carboxamide has a molecular weight of 522.60 g/mol, XLogP of 2.85, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl)-N-(3-hydroxy-5-methoxy-3-methyl-2,4-dihydrochromen-4-yl)-3,4-dihydro-2H-chromene-6-carboxamide is sourced from PubChem (CID 170382456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).