(6S)-2-amino-3,6-dimethyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one

C17H18N4O — CID 11185491

IUPAC(6S)-2-amino-3,6-dimethyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one
SMILESCN1C(=O)C[C@@](C)(c2cccc(-c3cccnc3)c2)N=C1N
InChIInChI=1S/C17H18N4O/c1-17(10-15(22)21(2)16(18)20-17)14-7-3-5-12(9-14)13-6-4-8-19-11-13/h3-9,11H,10H2,1-2H3,(H2,18,20)/t17-/m0/s1
InChIKeyUXSBRZQVDSXACZ-KRWDZBQOSA-N
MW294.36 g/mol
LogP2.14
Rot. Bonds2

About (6S)-2-amino-3,6-dimethyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one

(6S)-2-amino-3,6-dimethyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one (PubChem CID 11185491) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is (6S)-2-amino-3,6-dimethyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one.

Molecular Properties

Compound Name(6S)-2-amino-3,6-dimethyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one
PubChem CID11185491
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name(6S)-2-amino-3,6-dimethyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one
SMILESCN1C(=O)C[C@@](C)(c2cccc(-c3cccnc3)c2)N=C1N
InChIInChI=1S/C17H18N4O/c1-17(10-15(22)21(2)16(18)20-17)14-7-3-5-12(9-14)13-6-4-8-19-11-13/h3-9,11H,10H2,1-2H3,(H2,18,20)/t17-/m0/s1
InChIKeyUXSBRZQVDSXACZ-KRWDZBQOSA-N
XLogP2.14
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6S)-2-amino-3,6-dimethyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one?
The IUPAC name of (6S)-2-amino-3,6-dimethyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one (CID 11185491) is (6S)-2-amino-3,6-dimethyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one.
What is the SMILES notation for (6S)-2-amino-3,6-dimethyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one?
The canonical SMILES for (6S)-2-amino-3,6-dimethyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one is CN1C(=O)C[C@@](C)(c2cccc(-c3cccnc3)c2)N=C1N.
What is the InChIKey of (6S)-2-amino-3,6-dimethyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one?
The InChIKey is UXSBRZQVDSXACZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H18N4O/c1-17(10-15(22)21(2)16(18)20-17)14-7-3-5-12(9-14)13-6-4-8-19-11-13/h3-9,11H,10H2,1-2H3,(H2,18,20)/t17-/m0/s1.
What are the key properties of (6S)-2-amino-3,6-dimethyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one?
(6S)-2-amino-3,6-dimethyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one has a molecular weight of 294.36 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-amino-3,6-dimethyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one is sourced from PubChem (CID 11185491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).