(6S)-2-amino-6-[4-(3-aminophenyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one

C17H19N5O — CID 89248111

IUPAC(6S)-2-amino-6-[4-(3-aminophenyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCN1C(=O)C[C@@](C)(c2cc(-c3cccc(N)c3)ccn2)N=C1N
InChIInChI=1S/C17H19N5O/c1-17(10-15(23)22(2)16(19)21-17)14-9-12(6-7-20-14)11-4-3-5-13(18)8-11/h3-9H,10,18H2,1-2H3,(H2,19,21)/t17-/m0/s1
InChIKeyZUVFIDBLWAQNJW-KRWDZBQOSA-N
MW309.37 g/mol
LogP1.72
Rot. Bonds2

About (6S)-2-amino-6-[4-(3-aminophenyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one

(6S)-2-amino-6-[4-(3-aminophenyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one (PubChem CID 89248111) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is (6S)-2-amino-6-[4-(3-aminophenyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one.

Molecular Properties

Compound Name(6S)-2-amino-6-[4-(3-aminophenyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one
PubChem CID89248111
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name(6S)-2-amino-6-[4-(3-aminophenyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCN1C(=O)C[C@@](C)(c2cc(-c3cccc(N)c3)ccn2)N=C1N
InChIInChI=1S/C17H19N5O/c1-17(10-15(23)22(2)16(19)21-17)14-9-12(6-7-20-14)11-4-3-5-13(18)8-11/h3-9H,10,18H2,1-2H3,(H2,19,21)/t17-/m0/s1
InChIKeyZUVFIDBLWAQNJW-KRWDZBQOSA-N
XLogP1.72
TPSA97.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6S)-2-amino-6-[4-(3-aminophenyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one?
The IUPAC name of (6S)-2-amino-6-[4-(3-aminophenyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one (CID 89248111) is (6S)-2-amino-6-[4-(3-aminophenyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one.
What is the SMILES notation for (6S)-2-amino-6-[4-(3-aminophenyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one?
The canonical SMILES for (6S)-2-amino-6-[4-(3-aminophenyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one is CN1C(=O)C[C@@](C)(c2cc(-c3cccc(N)c3)ccn2)N=C1N.
What is the InChIKey of (6S)-2-amino-6-[4-(3-aminophenyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one?
The InChIKey is ZUVFIDBLWAQNJW-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H19N5O/c1-17(10-15(23)22(2)16(19)21-17)14-9-12(6-7-20-14)11-4-3-5-13(18)8-11/h3-9H,10,18H2,1-2H3,(H2,19,21)/t17-/m0/s1.
What are the key properties of (6S)-2-amino-6-[4-(3-aminophenyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one?
(6S)-2-amino-6-[4-(3-aminophenyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one has a molecular weight of 309.37 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-amino-6-[4-(3-aminophenyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one is sourced from PubChem (CID 89248111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).