2-(4-methylpiperazin-1-yl)-1,4-dihydropyrimidine

C9H16N4 — CID 54066096

IUPAC2-(4-methylpiperazin-1-yl)-1,4-dihydropyrimidine
SMILESCN1CCN(C2=NCC=CN2)CC1
InChIInChI=1S/C9H16N4/c1-12-5-7-13(8-6-12)9-10-3-2-4-11-9/h2-3H,4-8H2,1H3,(H,10,11)
InChIKeyMDCGONJDCAYIEB-UHFFFAOYSA-N
MW180.25 g/mol
LogP-0.29
Rot. Bonds

About 2-(4-methylpiperazin-1-yl)-1,4-dihydropyrimidine

2-(4-methylpiperazin-1-yl)-1,4-dihydropyrimidine (PubChem CID 54066096) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-1,4-dihydropyrimidine.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-1,4-dihydropyrimidine
PubChem CID54066096
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name2-(4-methylpiperazin-1-yl)-1,4-dihydropyrimidine
SMILESCN1CCN(C2=NCC=CN2)CC1
InChIInChI=1S/C9H16N4/c1-12-5-7-13(8-6-12)9-10-3-2-4-11-9/h2-3H,4-8H2,1H3,(H,10,11)
InChIKeyMDCGONJDCAYIEB-UHFFFAOYSA-N
XLogP-0.29
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
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 2-(4-methylpiperazin-1-yl)-1,4-dihydropyrimidine?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-1,4-dihydropyrimidine (CID 54066096) is 2-(4-methylpiperazin-1-yl)-1,4-dihydropyrimidine.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-1,4-dihydropyrimidine?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-1,4-dihydropyrimidine is CN1CCN(C2=NCC=CN2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-1,4-dihydropyrimidine?
The InChIKey is MDCGONJDCAYIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-12-5-7-13(8-6-12)9-10-3-2-4-11-9/h2-3H,4-8H2,1H3,(H,10,11).
What are the key properties of 2-(4-methylpiperazin-1-yl)-1,4-dihydropyrimidine?
2-(4-methylpiperazin-1-yl)-1,4-dihydropyrimidine has a molecular weight of 180.25 g/mol, XLogP of -0.29, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-1,4-dihydropyrimidine is sourced from PubChem (CID 54066096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).