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

C19H26N4O — CID 166563301

IUPAC(6R)-2-amino-6-[2-(4-tert-butylphenyl)ethyl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCC(C)(C)c1ccc(CC[C@H]2CNc3nc(N)[nH]c(=O)c3C2)cc1
InChIInChI=1S/C19H26N4O/c1-19(2,3)14-8-6-12(7-9-14)4-5-13-10-15-16(21-11-13)22-18(20)23-17(15)24/h6-9,13H,4-5,10-11H2,1-3H3,(H4,20,21,22,23,24)/t13-/m1/s1
InChIKeyWSIGFOHDTZNGAJ-CYBMUJFWSA-N
MW326.44 g/mol
LogP2.87
Rot. Bonds3

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

(6R)-2-amino-6-[2-(4-tert-butylphenyl)ethyl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 166563301) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is (6R)-2-amino-6-[2-(4-tert-butylphenyl)ethyl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name(6R)-2-amino-6-[2-(4-tert-butylphenyl)ethyl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID166563301
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name(6R)-2-amino-6-[2-(4-tert-butylphenyl)ethyl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCC(C)(C)c1ccc(CC[C@H]2CNc3nc(N)[nH]c(=O)c3C2)cc1
InChIInChI=1S/C19H26N4O/c1-19(2,3)14-8-6-12(7-9-14)4-5-13-10-15-16(21-11-13)22-18(20)23-17(15)24/h6-9,13H,4-5,10-11H2,1-3H3,(H4,20,21,22,23,24)/t13-/m1/s1
InChIKeyWSIGFOHDTZNGAJ-CYBMUJFWSA-N
XLogP2.87
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.87
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-tert-butylphenyl)ethyl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of (6R)-2-amino-6-[2-(4-tert-butylphenyl)ethyl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one (CID 166563301) is (6R)-2-amino-6-[2-(4-tert-butylphenyl)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-tert-butylphenyl)ethyl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for (6R)-2-amino-6-[2-(4-tert-butylphenyl)ethyl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one is CC(C)(C)c1ccc(CC[C@H]2CNc3nc(N)[nH]c(=O)c3C2)cc1.
What is the InChIKey of (6R)-2-amino-6-[2-(4-tert-butylphenyl)ethyl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is WSIGFOHDTZNGAJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H26N4O/c1-19(2,3)14-8-6-12(7-9-14)4-5-13-10-15-16(21-11-13)22-18(20)23-17(15)24/h6-9,13H,4-5,10-11H2,1-3H3,(H4,20,21,22,23,24)/t13-/m1/s1.
What are the key properties of (6R)-2-amino-6-[2-(4-tert-butylphenyl)ethyl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one?
(6R)-2-amino-6-[2-(4-tert-butylphenyl)ethyl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 326.44 g/mol, XLogP of 2.87, 3 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-tert-butylphenyl)ethyl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 166563301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).