4-(4-methylpiperazin-1-yl)-1,4-dihydropyrimidine

C9H16N4 — CID 173471256

IUPAC4-(4-methylpiperazin-1-yl)-1,4-dihydropyrimidine
SMILESCN1CCN(C2C=CNC=N2)CC1
InChIInChI=1S/C9H16N4/c1-12-4-6-13(7-5-12)9-2-3-10-8-11-9/h2-3,8-9H,4-7H2,1H3,(H,10,11)
InChIKeyIGPAMWWEZBZHES-UHFFFAOYSA-N
MW180.26 g/mol
LogP-0.29
Rot. Bonds1

About 4-(4-methylpiperazin-1-yl)-1,4-dihydropyrimidine

4-(4-methylpiperazin-1-yl)-1,4-dihydropyrimidine (PubChem CID 173471256) has the molecular formula C9H16N4 and a molecular weight of 180.26 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-1,4-dihydropyrimidine.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-1,4-dihydropyrimidine
PubChem CID173471256
Molecular FormulaC9H16N4
Molecular Weight180.26 g/mol
Exact Mass180.14
IUPAC Name4-(4-methylpiperazin-1-yl)-1,4-dihydropyrimidine
SMILESCN1CCN(C2C=CNC=N2)CC1
InChIInChI=1S/C9H16N4/c1-12-4-6-13(7-5-12)9-2-3-10-8-11-9/h2-3,8-9H,4-7H2,1H3,(H,10,11)
InChIKeyIGPAMWWEZBZHES-UHFFFAOYSA-N
XLogP-0.29
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.26
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-1,4-dihydropyrimidine?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-1,4-dihydropyrimidine (CID 173471256) is 4-(4-methylpiperazin-1-yl)-1,4-dihydropyrimidine.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-1,4-dihydropyrimidine?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-1,4-dihydropyrimidine is CN1CCN(C2C=CNC=N2)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-1,4-dihydropyrimidine?
The InChIKey is IGPAMWWEZBZHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-12-4-6-13(7-5-12)9-2-3-10-8-11-9/h2-3,8-9H,4-7H2,1H3,(H,10,11).
What are the key properties of 4-(4-methylpiperazin-1-yl)-1,4-dihydropyrimidine?
4-(4-methylpiperazin-1-yl)-1,4-dihydropyrimidine has a molecular weight of 180.26 g/mol, XLogP of -0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-1,4-dihydropyrimidine is sourced from PubChem (CID 173471256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).