(4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-2-ethyl-N-[(1R,2R)-2-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl]-3,4-dihydro-2H-chromene-6-carboxamide

C30H38N4O4 — CID 170377784

IUPAC(4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-2-ethyl-N-[(1R,2R)-2-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl]-3,4-dihydro-2H-chromene-6-carboxamide
SMILESCCC1C[C@@H](N2C(=O)CC(CC)(CC)N=C2N)c2cc(C(=O)N[C@@H]3c4cc(C)ccc4C[C@H]3O)ccc2O1
InChIInChI=1S/C30H38N4O4/c1-5-20-15-23(34-26(36)16-30(6-2,7-3)33-29(34)31)22-13-19(10-11-25(22)38-20)28(37)32-27-21-12-17(4)8-9-18(21)14-24(27)35/h8-13,20,23-24,27,35H,5-7,14-16H2,1-4H3,(H2,31,33)(H,32,37)/t20?,23-,24-,27-/m1/s1
InChIKeyQVMRLURBOIITHD-SIODDFCFSA-N
MW518.66 g/mol
LogP4.09
Rot. Bonds6

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

(4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-2-ethyl-N-[(1R,2R)-2-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl]-3,4-dihydro-2H-chromene-6-carboxamide (PubChem CID 170377784) has the molecular formula C30H38N4O4 and a molecular weight of 518.66 g/mol. Its IUPAC name is (4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-2-ethyl-N-[(1R,2R)-2-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl]-3,4-dihydro-2H-chromene-6-carboxamide.

Molecular Properties

Compound Name(4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-2-ethyl-N-[(1R,2R)-2-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl]-3,4-dihydro-2H-chromene-6-carboxamide
PubChem CID170377784
Molecular FormulaC30H38N4O4
Molecular Weight518.66 g/mol
Exact Mass518.29
IUPAC Name(4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-2-ethyl-N-[(1R,2R)-2-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl]-3,4-dihydro-2H-chromene-6-carboxamide
SMILESCCC1C[C@@H](N2C(=O)CC(CC)(CC)N=C2N)c2cc(C(=O)N[C@@H]3c4cc(C)ccc4C[C@H]3O)ccc2O1
InChIInChI=1S/C30H38N4O4/c1-5-20-15-23(34-26(36)16-30(6-2,7-3)33-29(34)31)22-13-19(10-11-25(22)38-20)28(37)32-27-21-12-17(4)8-9-18(21)14-24(27)35/h8-13,20,23-24,27,35H,5-7,14-16H2,1-4H3,(H2,31,33)(H,32,37)/t20?,23-,24-,27-/m1/s1
InChIKeyQVMRLURBOIITHD-SIODDFCFSA-N
XLogP4.09
TPSA117.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.66
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-2-ethyl-N-[(1R,2R)-2-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl]-3,4-dihydro-2H-chromene-6-carboxamide?
The IUPAC name of (4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-2-ethyl-N-[(1R,2R)-2-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl]-3,4-dihydro-2H-chromene-6-carboxamide (CID 170377784) is (4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-2-ethyl-N-[(1R,2R)-2-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl]-3,4-dihydro-2H-chromene-6-carboxamide.
What is the SMILES notation for (4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-2-ethyl-N-[(1R,2R)-2-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl]-3,4-dihydro-2H-chromene-6-carboxamide?
The canonical SMILES for (4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-2-ethyl-N-[(1R,2R)-2-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl]-3,4-dihydro-2H-chromene-6-carboxamide is CCC1C[C@@H](N2C(=O)CC(CC)(CC)N=C2N)c2cc(C(=O)N[C@@H]3c4cc(C)ccc4C[C@H]3O)ccc2O1.
What is the InChIKey of (4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-2-ethyl-N-[(1R,2R)-2-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl]-3,4-dihydro-2H-chromene-6-carboxamide?
The InChIKey is QVMRLURBOIITHD-SIODDFCFSA-N. The full InChI is InChI=1S/C30H38N4O4/c1-5-20-15-23(34-26(36)16-30(6-2,7-3)33-29(34)31)22-13-19(10-11-25(22)38-20)28(37)32-27-21-12-17(4)8-9-18(21)14-24(27)35/h8-13,20,23-24,27,35H,5-7,14-16H2,1-4H3,(H2,31,33)(H,32,37)/t20?,23-,24-,27-/m1/s1.
What are the key properties of (4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-2-ethyl-N-[(1R,2R)-2-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl]-3,4-dihydro-2H-chromene-6-carboxamide?
(4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-2-ethyl-N-[(1R,2R)-2-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl]-3,4-dihydro-2H-chromene-6-carboxamide has a molecular weight of 518.66 g/mol, XLogP of 4.09, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-2-ethyl-N-[(1R,2R)-2-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl]-3,4-dihydro-2H-chromene-6-carboxamide is sourced from PubChem (CID 170377784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).