(6S)-2-amino-6-methyl-3-[(1R)-1-(3-methylphenyl)ethyl]-6-propan-2-yl-5H-pyrimidin-4-one

C17H25N3O — CID 145355342

IUPAC(6S)-2-amino-6-methyl-3-[(1R)-1-(3-methylphenyl)ethyl]-6-propan-2-yl-5H-pyrimidin-4-one
SMILESCc1cccc([C@@H](C)N2C(=O)C[C@@](C)(C(C)C)N=C2N)c1
InChIInChI=1S/C17H25N3O/c1-11(2)17(5)10-15(21)20(16(18)19-17)13(4)14-8-6-7-12(3)9-14/h6-9,11,13H,10H2,1-5H3,(H2,18,19)/t13-,17+/m1/s1
InChIKeyKKJYBOLRIXFFQG-DYVFJYSZSA-N
MW287.41 g/mol
LogP3.02
Rot. Bonds3

About (6S)-2-amino-6-methyl-3-[(1R)-1-(3-methylphenyl)ethyl]-6-propan-2-yl-5H-pyrimidin-4-one

(6S)-2-amino-6-methyl-3-[(1R)-1-(3-methylphenyl)ethyl]-6-propan-2-yl-5H-pyrimidin-4-one (PubChem CID 145355342) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is (6S)-2-amino-6-methyl-3-[(1R)-1-(3-methylphenyl)ethyl]-6-propan-2-yl-5H-pyrimidin-4-one.

Molecular Properties

Compound Name(6S)-2-amino-6-methyl-3-[(1R)-1-(3-methylphenyl)ethyl]-6-propan-2-yl-5H-pyrimidin-4-one
PubChem CID145355342
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name(6S)-2-amino-6-methyl-3-[(1R)-1-(3-methylphenyl)ethyl]-6-propan-2-yl-5H-pyrimidin-4-one
SMILESCc1cccc([C@@H](C)N2C(=O)C[C@@](C)(C(C)C)N=C2N)c1
InChIInChI=1S/C17H25N3O/c1-11(2)17(5)10-15(21)20(16(18)19-17)13(4)14-8-6-7-12(3)9-14/h6-9,11,13H,10H2,1-5H3,(H2,18,19)/t13-,17+/m1/s1
InChIKeyKKJYBOLRIXFFQG-DYVFJYSZSA-N
XLogP3.02
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6S)-2-amino-6-methyl-3-[(1R)-1-(3-methylphenyl)ethyl]-6-propan-2-yl-5H-pyrimidin-4-one?
The IUPAC name of (6S)-2-amino-6-methyl-3-[(1R)-1-(3-methylphenyl)ethyl]-6-propan-2-yl-5H-pyrimidin-4-one (CID 145355342) is (6S)-2-amino-6-methyl-3-[(1R)-1-(3-methylphenyl)ethyl]-6-propan-2-yl-5H-pyrimidin-4-one.
What is the SMILES notation for (6S)-2-amino-6-methyl-3-[(1R)-1-(3-methylphenyl)ethyl]-6-propan-2-yl-5H-pyrimidin-4-one?
The canonical SMILES for (6S)-2-amino-6-methyl-3-[(1R)-1-(3-methylphenyl)ethyl]-6-propan-2-yl-5H-pyrimidin-4-one is Cc1cccc([C@@H](C)N2C(=O)C[C@@](C)(C(C)C)N=C2N)c1.
What is the InChIKey of (6S)-2-amino-6-methyl-3-[(1R)-1-(3-methylphenyl)ethyl]-6-propan-2-yl-5H-pyrimidin-4-one?
The InChIKey is KKJYBOLRIXFFQG-DYVFJYSZSA-N. The full InChI is InChI=1S/C17H25N3O/c1-11(2)17(5)10-15(21)20(16(18)19-17)13(4)14-8-6-7-12(3)9-14/h6-9,11,13H,10H2,1-5H3,(H2,18,19)/t13-,17+/m1/s1.
What are the key properties of (6S)-2-amino-6-methyl-3-[(1R)-1-(3-methylphenyl)ethyl]-6-propan-2-yl-5H-pyrimidin-4-one?
(6S)-2-amino-6-methyl-3-[(1R)-1-(3-methylphenyl)ethyl]-6-propan-2-yl-5H-pyrimidin-4-one has a molecular weight of 287.41 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-amino-6-methyl-3-[(1R)-1-(3-methylphenyl)ethyl]-6-propan-2-yl-5H-pyrimidin-4-one is sourced from PubChem (CID 145355342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).