(6S)-2-amino-3,6-dimethyl-6-[2-(5-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-5H-pyrimidin-4-one

C15H17N5OS — CID 69091152

IUPAC(6S)-2-amino-3,6-dimethyl-6-[2-(5-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-5H-pyrimidin-4-one
SMILESCc1cncc(-c2ncc([C@]3(C)CC(=O)N(C)C(N)=N3)s2)c1
InChIInChI=1S/C15H17N5OS/c1-9-4-10(7-17-6-9)13-18-8-11(22-13)15(2)5-12(21)20(3)14(16)19-15/h4,6-8H,5H2,1-3H3,(H2,16,19)/t15-/m0/s1
InChIKeyNLRGGXAJLBHJPZ-HNNXBMFYSA-N
MW315.40 g/mol
LogP1.91
Rot. Bonds2

About (6S)-2-amino-3,6-dimethyl-6-[2-(5-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-5H-pyrimidin-4-one

(6S)-2-amino-3,6-dimethyl-6-[2-(5-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-5H-pyrimidin-4-one (PubChem CID 69091152) has the molecular formula C15H17N5OS and a molecular weight of 315.40 g/mol. Its IUPAC name is (6S)-2-amino-3,6-dimethyl-6-[2-(5-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-5H-pyrimidin-4-one.

Molecular Properties

Compound Name(6S)-2-amino-3,6-dimethyl-6-[2-(5-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-5H-pyrimidin-4-one
PubChem CID69091152
Molecular FormulaC15H17N5OS
Molecular Weight315.40 g/mol
Exact Mass315.12
IUPAC Name(6S)-2-amino-3,6-dimethyl-6-[2-(5-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-5H-pyrimidin-4-one
SMILESCc1cncc(-c2ncc([C@]3(C)CC(=O)N(C)C(N)=N3)s2)c1
InChIInChI=1S/C15H17N5OS/c1-9-4-10(7-17-6-9)13-18-8-11(22-13)15(2)5-12(21)20(3)14(16)19-15/h4,6-8H,5H2,1-3H3,(H2,16,19)/t15-/m0/s1
InChIKeyNLRGGXAJLBHJPZ-HNNXBMFYSA-N
XLogP1.91
TPSA84.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (6S)-2-amino-3,6-dimethyl-6-[2-(5-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-5H-pyrimidin-4-one with MolForge

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Launch Full Analysis

Related Compounds

MK-8931
CID 23627211
(6S)-2-Amino-3,6-dimethyl-6-{5-[5-(prop-1-yn-1-yl)pyridin-3-yl]thiophen-2-yl}-5,6-dihydropyrimidin-4(3H)-one
CID 71451161
(6S)-2-amino-3,6-dimethyl-6-[5-(5-prop-1-ynyl-3-pyridinyl)thiophen-3-yl]-5H-pyrimidin-4-one
CID 71454735
2-amino-3,6-dimethyl-6-[4-(5-prop-1-ynyl-3-pyridinyl)thiophen-2-yl]-5H-pyrimidin-4-one
CID 46863661
(5R,6S)-2-amino-5-fluoro-3,6-dimethyl-6-[4-(5-prop-1-ynyl-3-pyridinyl)thiophen-2-yl]-5H-pyrimidin-4-one
CID 24867045
(6S)-2-amino-6-[5-fluoro-4-(5-prop-1-ynyl-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 24867154
(5S,6S)-2-amino-5-cyclopropyl-6-[5-(6-fluoro-5-methyl-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 25003970
(5R,6S)-2-amino-5-fluoro-6-[5-fluoro-4-(5-prop-1-ynyl-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 59025372
(6S)-2-amino-6-[4-(6-fluoro-5-methyl-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 59386724
5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-1,3-thiazol-2-yl]-2-fluorobenzonitrile
CID 59387480
(6S)-2-amino-6-[2-(3-fluorophenyl)-1,3-thiazol-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 59388172
(6S)-2-amino-6-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 59388247

Frequently Asked Questions

What is the IUPAC name of (6S)-2-amino-3,6-dimethyl-6-[2-(5-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-5H-pyrimidin-4-one?
The IUPAC name of (6S)-2-amino-3,6-dimethyl-6-[2-(5-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-5H-pyrimidin-4-one (CID 69091152) is (6S)-2-amino-3,6-dimethyl-6-[2-(5-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-5H-pyrimidin-4-one.
What is the SMILES notation for (6S)-2-amino-3,6-dimethyl-6-[2-(5-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-5H-pyrimidin-4-one?
The canonical SMILES for (6S)-2-amino-3,6-dimethyl-6-[2-(5-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-5H-pyrimidin-4-one is Cc1cncc(-c2ncc([C@]3(C)CC(=O)N(C)C(N)=N3)s2)c1.
What is the InChIKey of (6S)-2-amino-3,6-dimethyl-6-[2-(5-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-5H-pyrimidin-4-one?
The InChIKey is NLRGGXAJLBHJPZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H17N5OS/c1-9-4-10(7-17-6-9)13-18-8-11(22-13)15(2)5-12(21)20(3)14(16)19-15/h4,6-8H,5H2,1-3H3,(H2,16,19)/t15-/m0/s1.
What are the key properties of (6S)-2-amino-3,6-dimethyl-6-[2-(5-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-5H-pyrimidin-4-one?
(6S)-2-amino-3,6-dimethyl-6-[2-(5-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-5H-pyrimidin-4-one has a molecular weight of 315.40 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-amino-3,6-dimethyl-6-[2-(5-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-5H-pyrimidin-4-one is sourced from PubChem (CID 69091152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).