5-methyl-N-[6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-3-amine

C17H19N7O — CID 112863359

IUPAC5-methyl-N-[6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-3-amine
SMILESCc1cc(Nc2cc(N3CCN(c4ccccn4)CC3)ncn2)no1
InChIInChI=1S/C17H19N7O/c1-13-10-15(22-25-13)21-14-11-17(20-12-19-14)24-8-6-23(7-9-24)16-4-2-3-5-18-16/h2-5,10-12H,6-9H2,1H3,(H,19,20,21,22)
InChIKeyAYNBGZBUZJKEDW-UHFFFAOYSA-N
MW337.39 g/mol
LogP2.24
Rot. Bonds4

About 5-methyl-N-[6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-3-amine

5-methyl-N-[6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-3-amine (PubChem CID 112863359) has the molecular formula C17H19N7O and a molecular weight of 337.39 g/mol. Its IUPAC name is 5-methyl-N-[6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-methyl-N-[6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-3-amine
PubChem CID112863359
Molecular FormulaC17H19N7O
Molecular Weight337.39 g/mol
Exact Mass337.17
IUPAC Name5-methyl-N-[6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-3-amine
SMILESCc1cc(Nc2cc(N3CCN(c4ccccn4)CC3)ncn2)no1
InChIInChI=1S/C17H19N7O/c1-13-10-15(22-25-13)21-14-11-17(20-12-19-14)24-8-6-23(7-9-24)16-4-2-3-5-18-16/h2-5,10-12H,6-9H2,1H3,(H,19,20,21,22)
InChIKeyAYNBGZBUZJKEDW-UHFFFAOYSA-N
XLogP2.24
TPSA83.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-methyl-N-[6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-3-amine with MolForge

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Related Compounds

N-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine
CID 112863112
6-(4-pyridin-2-ylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 112863311
N-(2,3-dimethylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112863304
N-(4-ethylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112863306
N-(2-methyl-6-propan-2-ylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112863312
N-(1,3-benzodioxol-5-yl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112863347
N-cyclopentyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112855879
6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine
CID 122348991
N-(2-methoxyethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112856705
N-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112863373
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109139223
4-(4-ethylpiperazin-1-yl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
CID 112858073

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-3-amine?
The IUPAC name of 5-methyl-N-[6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-3-amine (CID 112863359) is 5-methyl-N-[6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-3-amine.
What is the SMILES notation for 5-methyl-N-[6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-3-amine?
The canonical SMILES for 5-methyl-N-[6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-3-amine is Cc1cc(Nc2cc(N3CCN(c4ccccn4)CC3)ncn2)no1.
What is the InChIKey of 5-methyl-N-[6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-3-amine?
The InChIKey is AYNBGZBUZJKEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O/c1-13-10-15(22-25-13)21-14-11-17(20-12-19-14)24-8-6-23(7-9-24)16-4-2-3-5-18-16/h2-5,10-12H,6-9H2,1H3,(H,19,20,21,22).
What are the key properties of 5-methyl-N-[6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-3-amine?
5-methyl-N-[6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-3-amine has a molecular weight of 337.39 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-3-amine is sourced from PubChem (CID 112863359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).