4-methyl-2-piperazin-1-ylpyrimidine

C9H14N4 — CID 10130214

IUPAC4-methyl-2-piperazin-1-ylpyrimidine
SMILESCc1ccnc(N2CCNCC2)n1
InChIInChI=1S/C9H14N4/c1-8-2-3-11-9(12-8)13-6-4-10-5-7-13/h2-3,10H,4-7H2,1H3
InChIKeyQMFLDCBHGGRGNY-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.19
Rot. Bonds1

About 4-methyl-2-piperazin-1-ylpyrimidine

4-methyl-2-piperazin-1-ylpyrimidine (PubChem CID 10130214) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 4-methyl-2-piperazin-1-ylpyrimidine.

Molecular Properties

Compound Name4-methyl-2-piperazin-1-ylpyrimidine
PubChem CID10130214
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name4-methyl-2-piperazin-1-ylpyrimidine
SMILESCc1ccnc(N2CCNCC2)n1
InChIInChI=1S/C9H14N4/c1-8-2-3-11-9(12-8)13-6-4-10-5-7-13/h2-3,10H,4-7H2,1H3
InChIKeyQMFLDCBHGGRGNY-UHFFFAOYSA-N
XLogP0.19
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Pyrimidinyl)piperazine
CID 88747
2-Amino-4-methylpyrimidine
CID 7939
4-Methylpyrimidine
CID 18922
1-(2-Pyrimidyl)piperazine hydrochloride
CID 2818457
2-(Piperazin-1-yl)-4-(trifluoromethyl)pyrimidine
CID 2778334
2,4-Dimethyl-6-(piperazin-1-yl)pyrimidine
CID 4778269
2-Piperazinylpyrimidine dihydrochloride
CID 11680272
2-(Cyclohexylamino)pyrimidine-4-carbonitrile
CID 16108885
4-Methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 3228743
4-(Piperazin-1-yl)pyrimidin-2-amine
CID 19969682
N-butyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 58227143
4-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-2-amine
CID 58227165

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-piperazin-1-ylpyrimidine?
The IUPAC name of 4-methyl-2-piperazin-1-ylpyrimidine (CID 10130214) is 4-methyl-2-piperazin-1-ylpyrimidine.
What is the SMILES notation for 4-methyl-2-piperazin-1-ylpyrimidine?
The canonical SMILES for 4-methyl-2-piperazin-1-ylpyrimidine is Cc1ccnc(N2CCNCC2)n1.
What is the InChIKey of 4-methyl-2-piperazin-1-ylpyrimidine?
The InChIKey is QMFLDCBHGGRGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c1-8-2-3-11-9(12-8)13-6-4-10-5-7-13/h2-3,10H,4-7H2,1H3.
What are the key properties of 4-methyl-2-piperazin-1-ylpyrimidine?
4-methyl-2-piperazin-1-ylpyrimidine has a molecular weight of 178.24 g/mol, XLogP of 0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-piperazin-1-ylpyrimidine is sourced from PubChem (CID 10130214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).