(7R)-2-amino-7-[2-(5-amino-6-ethoxypyrazin-2-yl)phenyl]-4-ethyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one

C21H23N7O2 — CID 71198843

IUPAC(7R)-2-amino-7-[2-(5-amino-6-ethoxypyrazin-2-yl)phenyl]-4-ethyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCCOc1nc(-c2ccccc2[C@H]2Cc3nc(N)nc(CC)c3C(=O)N2)cnc1N
InChIInChI=1S/C21H23N7O2/c1-3-13-17-15(28-21(23)27-13)9-14(25-19(17)29)11-7-5-6-8-12(11)16-10-24-18(22)20(26-16)30-4-2/h5-8,10,14H,3-4,9H2,1-2H3,(H2,22,24)(H,25,29)(H2,23,27,28)/t14-/m1/s1
InChIKeyUFGFMQWDWWMVIN-CQSZACIVSA-N
MW405.46 g/mol
LogP2.09
Rot. Bonds5

About (7R)-2-amino-7-[2-(5-amino-6-ethoxypyrazin-2-yl)phenyl]-4-ethyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one

(7R)-2-amino-7-[2-(5-amino-6-ethoxypyrazin-2-yl)phenyl]-4-ethyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one (PubChem CID 71198843) has the molecular formula C21H23N7O2 and a molecular weight of 405.46 g/mol. Its IUPAC name is (7R)-2-amino-7-[2-(5-amino-6-ethoxypyrazin-2-yl)phenyl]-4-ethyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name(7R)-2-amino-7-[2-(5-amino-6-ethoxypyrazin-2-yl)phenyl]-4-ethyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
PubChem CID71198843
Molecular FormulaC21H23N7O2
Molecular Weight405.46 g/mol
Exact Mass405.19
IUPAC Name(7R)-2-amino-7-[2-(5-amino-6-ethoxypyrazin-2-yl)phenyl]-4-ethyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCCOc1nc(-c2ccccc2[C@H]2Cc3nc(N)nc(CC)c3C(=O)N2)cnc1N
InChIInChI=1S/C21H23N7O2/c1-3-13-17-15(28-21(23)27-13)9-14(25-19(17)29)11-7-5-6-8-12(11)16-10-24-18(22)20(26-16)30-4-2/h5-8,10,14H,3-4,9H2,1-2H3,(H2,22,24)(H,25,29)(H2,23,27,28)/t14-/m1/s1
InChIKeyUFGFMQWDWWMVIN-CQSZACIVSA-N
XLogP2.09
TPSA141.93 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (7R)-2-amino-7-[2-(5-amino-6-ethoxypyrazin-2-yl)phenyl]-4-ethyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one 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 (7R)-2-amino-7-[2-(5-amino-6-ethoxypyrazin-2-yl)phenyl]-4-ethyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of (7R)-2-amino-7-[2-(5-amino-6-ethoxypyrazin-2-yl)phenyl]-4-ethyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one (CID 71198843) is (7R)-2-amino-7-[2-(5-amino-6-ethoxypyrazin-2-yl)phenyl]-4-ethyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for (7R)-2-amino-7-[2-(5-amino-6-ethoxypyrazin-2-yl)phenyl]-4-ethyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for (7R)-2-amino-7-[2-(5-amino-6-ethoxypyrazin-2-yl)phenyl]-4-ethyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one is CCOc1nc(-c2ccccc2[C@H]2Cc3nc(N)nc(CC)c3C(=O)N2)cnc1N.
What is the InChIKey of (7R)-2-amino-7-[2-(5-amino-6-ethoxypyrazin-2-yl)phenyl]-4-ethyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
The InChIKey is UFGFMQWDWWMVIN-CQSZACIVSA-N. The full InChI is InChI=1S/C21H23N7O2/c1-3-13-17-15(28-21(23)27-13)9-14(25-19(17)29)11-7-5-6-8-12(11)16-10-24-18(22)20(26-16)30-4-2/h5-8,10,14H,3-4,9H2,1-2H3,(H2,22,24)(H,25,29)(H2,23,27,28)/t14-/m1/s1.
What are the key properties of (7R)-2-amino-7-[2-(5-amino-6-ethoxypyrazin-2-yl)phenyl]-4-ethyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
(7R)-2-amino-7-[2-(5-amino-6-ethoxypyrazin-2-yl)phenyl]-4-ethyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one has a molecular weight of 405.46 g/mol, XLogP of 2.09, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-amino-7-[2-(5-amino-6-ethoxypyrazin-2-yl)phenyl]-4-ethyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 71198843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).