(7R)-2-amino-7-[2-(6-methoxy-2-pyridinyl)-4-methylphenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one

C21H21N5O2 — CID 57450676

IUPAC(7R)-2-amino-7-[2-(6-methoxy-2-pyridinyl)-4-methylphenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCOc1cccc(-c2cc(C)ccc2[C@H]2Cc3nc(N)nc(C)c3C(=O)N2)n1
InChIInChI=1S/C21H21N5O2/c1-11-7-8-13(14(9-11)15-5-4-6-18(24-15)28-3)16-10-17-19(20(27)25-16)12(2)23-21(22)26-17/h4-9,16H,10H2,1-3H3,(H,25,27)(H2,22,23,26)/t16-/m1/s1
InChIKeyNCLIKZGVDCOYTP-MRXNPFEDSA-N
MW375.43 g/mol
LogP2.77
Rot. Bonds3

About (7R)-2-amino-7-[2-(6-methoxy-2-pyridinyl)-4-methylphenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one

(7R)-2-amino-7-[2-(6-methoxy-2-pyridinyl)-4-methylphenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one (PubChem CID 57450676) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is (7R)-2-amino-7-[2-(6-methoxy-2-pyridinyl)-4-methylphenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name(7R)-2-amino-7-[2-(6-methoxy-2-pyridinyl)-4-methylphenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
PubChem CID57450676
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name(7R)-2-amino-7-[2-(6-methoxy-2-pyridinyl)-4-methylphenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCOc1cccc(-c2cc(C)ccc2[C@H]2Cc3nc(N)nc(C)c3C(=O)N2)n1
InChIInChI=1S/C21H21N5O2/c1-11-7-8-13(14(9-11)15-5-4-6-18(24-15)28-3)16-10-17-19(20(27)25-16)12(2)23-21(22)26-17/h4-9,16H,10H2,1-3H3,(H,25,27)(H2,22,23,26)/t16-/m1/s1
InChIKeyNCLIKZGVDCOYTP-MRXNPFEDSA-N
XLogP2.77
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (7R)-2-amino-7-[2-(6-methoxy-2-pyridinyl)-4-methylphenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of (7R)-2-amino-7-[2-(6-methoxy-2-pyridinyl)-4-methylphenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one (CID 57450676) is (7R)-2-amino-7-[2-(6-methoxy-2-pyridinyl)-4-methylphenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for (7R)-2-amino-7-[2-(6-methoxy-2-pyridinyl)-4-methylphenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for (7R)-2-amino-7-[2-(6-methoxy-2-pyridinyl)-4-methylphenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one is COc1cccc(-c2cc(C)ccc2[C@H]2Cc3nc(N)nc(C)c3C(=O)N2)n1.
What is the InChIKey of (7R)-2-amino-7-[2-(6-methoxy-2-pyridinyl)-4-methylphenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
The InChIKey is NCLIKZGVDCOYTP-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-11-7-8-13(14(9-11)15-5-4-6-18(24-15)28-3)16-10-17-19(20(27)25-16)12(2)23-21(22)26-17/h4-9,16H,10H2,1-3H3,(H,25,27)(H2,22,23,26)/t16-/m1/s1.
What are the key properties of (7R)-2-amino-7-[2-(6-methoxy-2-pyridinyl)-4-methylphenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
(7R)-2-amino-7-[2-(6-methoxy-2-pyridinyl)-4-methylphenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one has a molecular weight of 375.43 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-amino-7-[2-(6-methoxy-2-pyridinyl)-4-methylphenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 57450676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).