(6R)-2-amino-6-[2-(4-propan-2-ylphenyl)ethyl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one

C18H24N4O — CID 167287833

IUPAC(6R)-2-amino-6-[2-(4-propan-2-ylphenyl)ethyl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCC(C)c1ccc(CC[C@H]2CNc3nc(N)[nH]c(=O)c3C2)cc1
InChIInChI=1S/C18H24N4O/c1-11(2)14-7-5-12(6-8-14)3-4-13-9-15-16(20-10-13)21-18(19)22-17(15)23/h5-8,11,13H,3-4,9-10H2,1-2H3,(H4,19,20,21,22,23)/t13-/m1/s1
InChIKeyXJXISSAVYWHMMD-CYBMUJFWSA-N
MW312.42 g/mol
LogP2.69
Rot. Bonds4

About (6R)-2-amino-6-[2-(4-propan-2-ylphenyl)ethyl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one

(6R)-2-amino-6-[2-(4-propan-2-ylphenyl)ethyl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 167287833) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is (6R)-2-amino-6-[2-(4-propan-2-ylphenyl)ethyl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name(6R)-2-amino-6-[2-(4-propan-2-ylphenyl)ethyl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID167287833
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name(6R)-2-amino-6-[2-(4-propan-2-ylphenyl)ethyl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCC(C)c1ccc(CC[C@H]2CNc3nc(N)[nH]c(=O)c3C2)cc1
InChIInChI=1S/C18H24N4O/c1-11(2)14-7-5-12(6-8-14)3-4-13-9-15-16(20-10-13)21-18(19)22-17(15)23/h5-8,11,13H,3-4,9-10H2,1-2H3,(H4,19,20,21,22,23)/t13-/m1/s1
InChIKeyXJXISSAVYWHMMD-CYBMUJFWSA-N
XLogP2.69
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6R)-2-amino-6-[2-(4-propan-2-ylphenyl)ethyl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of (6R)-2-amino-6-[2-(4-propan-2-ylphenyl)ethyl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one (CID 167287833) is (6R)-2-amino-6-[2-(4-propan-2-ylphenyl)ethyl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for (6R)-2-amino-6-[2-(4-propan-2-ylphenyl)ethyl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for (6R)-2-amino-6-[2-(4-propan-2-ylphenyl)ethyl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one is CC(C)c1ccc(CC[C@H]2CNc3nc(N)[nH]c(=O)c3C2)cc1.
What is the InChIKey of (6R)-2-amino-6-[2-(4-propan-2-ylphenyl)ethyl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is XJXISSAVYWHMMD-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H24N4O/c1-11(2)14-7-5-12(6-8-14)3-4-13-9-15-16(20-10-13)21-18(19)22-17(15)23/h5-8,11,13H,3-4,9-10H2,1-2H3,(H4,19,20,21,22,23)/t13-/m1/s1.
What are the key properties of (6R)-2-amino-6-[2-(4-propan-2-ylphenyl)ethyl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one?
(6R)-2-amino-6-[2-(4-propan-2-ylphenyl)ethyl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 312.42 g/mol, XLogP of 2.69, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-amino-6-[2-(4-propan-2-ylphenyl)ethyl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 167287833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).