4-(4-methylphenyl)-6-piperazin-1-ylpyrimidin-2-amine

C15H19N5 — CID 141328072

IUPAC4-(4-methylphenyl)-6-piperazin-1-ylpyrimidin-2-amine
SMILESCc1ccc(-c2cc(N3CCNCC3)nc(N)n2)cc1
InChIInChI=1S/C15H19N5/c1-11-2-4-12(5-3-11)13-10-14(19-15(16)18-13)20-8-6-17-7-9-20/h2-5,10,17H,6-9H2,1H3,(H2,16,18,19)
InChIKeyCZBXHEOWTKUTTE-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.44
Rot. Bonds2

About 4-(4-methylphenyl)-6-piperazin-1-ylpyrimidin-2-amine

4-(4-methylphenyl)-6-piperazin-1-ylpyrimidin-2-amine (PubChem CID 141328072) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is 4-(4-methylphenyl)-6-piperazin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-methylphenyl)-6-piperazin-1-ylpyrimidin-2-amine
PubChem CID141328072
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name4-(4-methylphenyl)-6-piperazin-1-ylpyrimidin-2-amine
SMILESCc1ccc(-c2cc(N3CCNCC3)nc(N)n2)cc1
InChIInChI=1S/C15H19N5/c1-11-2-4-12(5-3-11)13-10-14(19-15(16)18-13)20-8-6-17-7-9-20/h2-5,10,17H,6-9H2,1H3,(H2,16,18,19)
InChIKeyCZBXHEOWTKUTTE-UHFFFAOYSA-N
XLogP1.44
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(methylamino)azetidin-1-yl]-6-(4-methylphenyl)pyrimidin-2-amine
CID 11184773
6-piperazin-1-ylpyrimidine-2,4-diamine
CID 21363888
4-(4-methylpiperazin-1-yl)-6-(4-phenylphenyl)pyrimidin-2-amine
CID 25129879
2-amino-6-piperazin-1-ylpyrimidine-4-carboxylic acid
CID 165494645
6-piperazin-1-yl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 91475339
4-(2-phenylethyl)-6-piperazin-1-ylpyrimidin-2-amine
CID 24996534
2-(4-methylphenyl)-4-piperazin-1-yl-1,3-thiazole
CID 116889870
1-[2-amino-6-(4-methylsulfonylphenyl)pyrimidin-4-yl]piperidin-4-ol
CID 141280230
2,4-dimethyl-6-(4-piperazin-1-ylphenyl)pyrimidine
CID 82487680
4-(4-chlorophenyl)-6-piperazin-1-yl-2-pyridin-3-ylpyrimidine;hydrochloride
CID 156865983
4-[2-amino-6-[3-(methylamino)azetidin-1-yl]pyrimidin-4-yl]benzonitrile
CID 11437448
4-piperazin-1-yl-6-(pyridin-4-ylmethyl)pyrimidin-2-amine
CID 59777241

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-6-piperazin-1-ylpyrimidin-2-amine?
The IUPAC name of 4-(4-methylphenyl)-6-piperazin-1-ylpyrimidin-2-amine (CID 141328072) is 4-(4-methylphenyl)-6-piperazin-1-ylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-methylphenyl)-6-piperazin-1-ylpyrimidin-2-amine?
The canonical SMILES for 4-(4-methylphenyl)-6-piperazin-1-ylpyrimidin-2-amine is Cc1ccc(-c2cc(N3CCNCC3)nc(N)n2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-6-piperazin-1-ylpyrimidin-2-amine?
The InChIKey is CZBXHEOWTKUTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-11-2-4-12(5-3-11)13-10-14(19-15(16)18-13)20-8-6-17-7-9-20/h2-5,10,17H,6-9H2,1H3,(H2,16,18,19).
What are the key properties of 4-(4-methylphenyl)-6-piperazin-1-ylpyrimidin-2-amine?
4-(4-methylphenyl)-6-piperazin-1-ylpyrimidin-2-amine has a molecular weight of 269.35 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-6-piperazin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 141328072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).