[4-[(4-methylpyrimidin-2-yl)amino]phenyl]-piperazin-1-ylmethanone

C16H19N5O — CID 142946306

IUPAC[4-[(4-methylpyrimidin-2-yl)amino]phenyl]-piperazin-1-ylmethanone
SMILESCc1ccnc(Nc2ccc(C(=O)N3CCNCC3)cc2)n1
InChIInChI=1S/C16H19N5O/c1-12-6-7-18-16(19-12)20-14-4-2-13(3-5-14)15(22)21-10-8-17-9-11-21/h2-7,17H,8-11H2,1H3,(H,18,19,20)
InChIKeyJIERCRQWUMJMIG-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.57
Rot. Bonds3

About [4-[(4-methylpyrimidin-2-yl)amino]phenyl]-piperazin-1-ylmethanone

[4-[(4-methylpyrimidin-2-yl)amino]phenyl]-piperazin-1-ylmethanone (PubChem CID 142946306) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is [4-[(4-methylpyrimidin-2-yl)amino]phenyl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[4-[(4-methylpyrimidin-2-yl)amino]phenyl]-piperazin-1-ylmethanone
PubChem CID142946306
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name[4-[(4-methylpyrimidin-2-yl)amino]phenyl]-piperazin-1-ylmethanone
SMILESCc1ccnc(Nc2ccc(C(=O)N3CCNCC3)cc2)n1
InChIInChI=1S/C16H19N5O/c1-12-6-7-18-16(19-12)20-14-4-2-13(3-5-14)15(22)21-10-8-17-9-11-21/h2-7,17H,8-11H2,1H3,(H,18,19,20)
InChIKeyJIERCRQWUMJMIG-UHFFFAOYSA-N
XLogP1.57
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [4-[(4-methylpyrimidin-2-yl)amino]phenyl]-piperazin-1-ylmethanone with MolForge

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Related Compounds

chloromethane;ethane;[4-[[4-[4-(1-fluoro-1-phosphanylethyl)phenyl]pyrimidin-2-yl]amino]phenyl]-piperazin-1-ylmethanone
CID 142946364
[4-[[4-[4-(2-hydroxyethylsulfanyl)phenyl]pyrimidin-2-yl]amino]phenyl]-piperazin-1-ylmethanone;hydrochloride
CID 162315808
piperazin-1-yl-[4-[[4-(4-pyrrolidin-1-ylsulfonylphenyl)pyrimidin-2-yl]amino]phenyl]methanone
CID 58716570
[4-[[4-[4-(3-amino-3-hydroxybutyl)sulfanylphenyl]pyrimidin-2-yl]amino]phenyl]-piperazin-1-ylmethanone
CID 142145504
2-[(4-methylpyrimidin-2-yl)amino]-1-piperazin-1-ylethanone
CID 62958222
(6-methyl-3-pyridinyl)-piperazin-1-ylmethanone
CID 16787061
1-[4-[4-[[4-(4-propan-2-ylphenyl)pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]ethanone
CID 58716721
[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]amino]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 166035773
[4-[[4-(3-amino-2-methylphenyl)pyrimidin-2-yl]amino]phenyl]-pyrrolidin-1-ylmethanone
CID 68872034
[4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 58599465
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]phenyl]methanone
CID 58599486
4-[[4-(4-methylimidazol-1-yl)pyrimidin-2-yl]amino]benzoic acid
CID 68851073

Frequently Asked Questions

What is the IUPAC name of [4-[(4-methylpyrimidin-2-yl)amino]phenyl]-piperazin-1-ylmethanone?
The IUPAC name of [4-[(4-methylpyrimidin-2-yl)amino]phenyl]-piperazin-1-ylmethanone (CID 142946306) is [4-[(4-methylpyrimidin-2-yl)amino]phenyl]-piperazin-1-ylmethanone.
What is the SMILES notation for [4-[(4-methylpyrimidin-2-yl)amino]phenyl]-piperazin-1-ylmethanone?
The canonical SMILES for [4-[(4-methylpyrimidin-2-yl)amino]phenyl]-piperazin-1-ylmethanone is Cc1ccnc(Nc2ccc(C(=O)N3CCNCC3)cc2)n1.
What is the InChIKey of [4-[(4-methylpyrimidin-2-yl)amino]phenyl]-piperazin-1-ylmethanone?
The InChIKey is JIERCRQWUMJMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-12-6-7-18-16(19-12)20-14-4-2-13(3-5-14)15(22)21-10-8-17-9-11-21/h2-7,17H,8-11H2,1H3,(H,18,19,20).
What are the key properties of [4-[(4-methylpyrimidin-2-yl)amino]phenyl]-piperazin-1-ylmethanone?
[4-[(4-methylpyrimidin-2-yl)amino]phenyl]-piperazin-1-ylmethanone has a molecular weight of 297.36 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methylpyrimidin-2-yl)amino]phenyl]-piperazin-1-ylmethanone is sourced from PubChem (CID 142946306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).