(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

C27H31ClN4O5 — CID 167660333

IUPAC(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
SMILESCc1cc(Cl)cc2c1OC[C@@](C)(O)[C@@H]2NC(=O)c1ccc2c(c1)[C@H](N1C(=O)CC(C)(C)N=C1N)CCO2
InChIInChI=1S/C27H31ClN4O5/c1-14-9-16(28)11-18-22(14)37-13-27(4,35)23(18)30-24(34)15-5-6-20-17(10-15)19(7-8-36-20)32-21(33)12-26(2,3)31-25(32)29/h5-6,9-11,19,23,35H,7-8,12-13H2,1-4H3,(H2,29,31)(H,30,34)/t19-,23-,27-/m1/s1
InChIKeyLNWVJPUGBHZVEN-AUZMWRNASA-N
MW527.02 g/mol
LogP3.41
Rot. Bonds3

About (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

(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 (PubChem CID 167660333) has the molecular formula C27H31ClN4O5 and a molecular weight of 527.02 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID167660333
Molecular FormulaC27H31ClN4O5
Molecular Weight527.02 g/mol
Exact Mass526.20
IUPAC Name(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
SMILESCc1cc(Cl)cc2c1OC[C@@](C)(O)[C@@H]2NC(=O)c1ccc2c(c1)[C@H](N1C(=O)CC(C)(C)N=C1N)CCO2
InChIInChI=1S/C27H31ClN4O5/c1-14-9-16(28)11-18-22(14)37-13-27(4,35)23(18)30-24(34)15-5-6-20-17(10-15)19(7-8-36-20)32-21(33)12-26(2,3)31-25(32)29/h5-6,9-11,19,23,35H,7-8,12-13H2,1-4H3,(H2,29,31)(H,30,34)/t19-,23-,27-/m1/s1
InChIKeyLNWVJPUGBHZVEN-AUZMWRNASA-N
XLogP3.41
TPSA126.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.02
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1cc(Cl)cc2c1OC[C@@](C)(O)[C@@H]2NC(=O)c1ccc2c(c1)[C@H](N1C(=O)CC(C)(C)N=C1N)CCO2.
What is the InChIKey of (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?
The InChIKey is LNWVJPUGBHZVEN-AUZMWRNASA-N. The full InChI is InChI=1S/C27H31ClN4O5/c1-14-9-16(28)11-18-22(14)37-13-27(4,35)23(18)30-24(34)15-5-6-20-17(10-15)19(7-8-36-20)32-21(33)12-26(2,3)31-25(32)29/h5-6,9-11,19,23,35H,7-8,12-13H2,1-4H3,(H2,29,31)(H,30,34)/t19-,23-,27-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 527.02 g/mol, XLogP of 3.41, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 167660333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).