[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-[3-fluoro-5-(1,3-thiazol-2-yl)phenyl]methanone

C19H19FN6OS — CID 169412739

IUPAC[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-[3-fluoro-5-(1,3-thiazol-2-yl)phenyl]methanone
SMILESCc1cc(N2CCN(C(=O)c3cc(F)cc(-c4nccs4)c3)CC2)nc(N)n1
InChIInChI=1S/C19H19FN6OS/c1-12-8-16(24-19(21)23-12)25-3-5-26(6-4-25)18(27)14-9-13(10-15(20)11-14)17-22-2-7-28-17/h2,7-11H,3-6H2,1H3,(H2,21,23,24)
InChIKeyXJSNTFDZJPHKIN-UHFFFAOYSA-N
MW398.47 g/mol
LogP2.59
Rot. Bonds3

About [4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-[3-fluoro-5-(1,3-thiazol-2-yl)phenyl]methanone

[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-[3-fluoro-5-(1,3-thiazol-2-yl)phenyl]methanone (PubChem CID 169412739) has the molecular formula C19H19FN6OS and a molecular weight of 398.47 g/mol. Its IUPAC name is [4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-[3-fluoro-5-(1,3-thiazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-[3-fluoro-5-(1,3-thiazol-2-yl)phenyl]methanone
PubChem CID169412739
Molecular FormulaC19H19FN6OS
Molecular Weight398.47 g/mol
Exact Mass398.13
IUPAC Name[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-[3-fluoro-5-(1,3-thiazol-2-yl)phenyl]methanone
SMILESCc1cc(N2CCN(C(=O)c3cc(F)cc(-c4nccs4)c3)CC2)nc(N)n1
InChIInChI=1S/C19H19FN6OS/c1-12-8-16(24-19(21)23-12)25-3-5-26(6-4-25)18(27)14-9-13(10-15(20)11-14)17-22-2-7-28-17/h2,7-11H,3-6H2,1H3,(H2,21,23,24)
InChIKeyXJSNTFDZJPHKIN-UHFFFAOYSA-N
XLogP2.59
TPSA88.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-[4-(1-methylimidazol-2-yl)phenyl]methanone
CID 119072061
4-methyl-6-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]pyrimidin-2-amine
CID 47419492
(4-pyridin-2-ylpiperazin-1-yl)-[3-(1,3-thiazol-2-yl)phenyl]methanone
CID 110372125
[4-(2-fluorophenyl)piperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone
CID 110372123
(4-methylpiperazin-1-yl)-[3-(1,3-thiazol-2-yl)phenyl]methanone
CID 110372090
(5-fluoro-3-pyridinyl)-[4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 122333891
(3,4-dichlorophenyl)-[4-[2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]methanone
CID 42802674
[4-(2-amino-6-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]-(1-benzothiophen-2-yl)methanone
CID 138381259
(4-fluorophenyl)-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 53047613
1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-ol
CID 112724371
(3-fluorophenyl)-[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 53047662
1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-2-cyclohexylethanone
CID 51106955

Frequently Asked Questions

What is the IUPAC name of [4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-[3-fluoro-5-(1,3-thiazol-2-yl)phenyl]methanone?
The IUPAC name of [4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-[3-fluoro-5-(1,3-thiazol-2-yl)phenyl]methanone (CID 169412739) is [4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-[3-fluoro-5-(1,3-thiazol-2-yl)phenyl]methanone.
What is the SMILES notation for [4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-[3-fluoro-5-(1,3-thiazol-2-yl)phenyl]methanone?
The canonical SMILES for [4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-[3-fluoro-5-(1,3-thiazol-2-yl)phenyl]methanone is Cc1cc(N2CCN(C(=O)c3cc(F)cc(-c4nccs4)c3)CC2)nc(N)n1.
What is the InChIKey of [4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-[3-fluoro-5-(1,3-thiazol-2-yl)phenyl]methanone?
The InChIKey is XJSNTFDZJPHKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6OS/c1-12-8-16(24-19(21)23-12)25-3-5-26(6-4-25)18(27)14-9-13(10-15(20)11-14)17-22-2-7-28-17/h2,7-11H,3-6H2,1H3,(H2,21,23,24).
What are the key properties of [4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-[3-fluoro-5-(1,3-thiazol-2-yl)phenyl]methanone?
[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-[3-fluoro-5-(1,3-thiazol-2-yl)phenyl]methanone has a molecular weight of 398.47 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-[3-fluoro-5-(1,3-thiazol-2-yl)phenyl]methanone is sourced from PubChem (CID 169412739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).