4-methyl-6-piperazin-1-yl-1,4-dihydropyrimidine

C9H16N4 — CID 118973363

IUPAC4-methyl-6-piperazin-1-yl-1,4-dihydropyrimidine
SMILESCC1C=C(N2CCNCC2)NC=N1
InChIInChI=1S/C9H16N4/c1-8-6-9(12-7-11-8)13-4-2-10-3-5-13/h6-8,10H,2-5H2,1H3,(H,11,12)
InChIKeyGSHRTFQWYDZHAQ-UHFFFAOYSA-N
MW180.26 g/mol
LogP-0.25
Rot. Bonds1

About 4-methyl-6-piperazin-1-yl-1,4-dihydropyrimidine

4-methyl-6-piperazin-1-yl-1,4-dihydropyrimidine (PubChem CID 118973363) has the molecular formula C9H16N4 and a molecular weight of 180.26 g/mol. Its IUPAC name is 4-methyl-6-piperazin-1-yl-1,4-dihydropyrimidine.

Molecular Properties

Compound Name4-methyl-6-piperazin-1-yl-1,4-dihydropyrimidine
PubChem CID118973363
Molecular FormulaC9H16N4
Molecular Weight180.26 g/mol
Exact Mass180.14
IUPAC Name4-methyl-6-piperazin-1-yl-1,4-dihydropyrimidine
SMILESCC1C=C(N2CCNCC2)NC=N1
InChIInChI=1S/C9H16N4/c1-8-6-9(12-7-11-8)13-4-2-10-3-5-13/h6-8,10H,2-5H2,1H3,(H,11,12)
InChIKeyGSHRTFQWYDZHAQ-UHFFFAOYSA-N
XLogP-0.25
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.26
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-methyl-6-piperazin-1-yl-1,4-dihydropyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-piperazin-1-yl-1,4-dihydropyrimidine?
The IUPAC name of 4-methyl-6-piperazin-1-yl-1,4-dihydropyrimidine (CID 118973363) is 4-methyl-6-piperazin-1-yl-1,4-dihydropyrimidine.
What is the SMILES notation for 4-methyl-6-piperazin-1-yl-1,4-dihydropyrimidine?
The canonical SMILES for 4-methyl-6-piperazin-1-yl-1,4-dihydropyrimidine is CC1C=C(N2CCNCC2)NC=N1.
What is the InChIKey of 4-methyl-6-piperazin-1-yl-1,4-dihydropyrimidine?
The InChIKey is GSHRTFQWYDZHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-8-6-9(12-7-11-8)13-4-2-10-3-5-13/h6-8,10H,2-5H2,1H3,(H,11,12).
What are the key properties of 4-methyl-6-piperazin-1-yl-1,4-dihydropyrimidine?
4-methyl-6-piperazin-1-yl-1,4-dihydropyrimidine has a molecular weight of 180.26 g/mol, XLogP of -0.25, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-piperazin-1-yl-1,4-dihydropyrimidine is sourced from PubChem (CID 118973363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).