2-(4-methylpiperazin-1-yl)-1,4,5,6-tetrahydropyrimidine

C9H18N4 — CID 20631522

IUPAC2-(4-methylpiperazin-1-yl)-1,4,5,6-tetrahydropyrimidine
SMILESCN1CCN(C2=NCCCN2)CC1
InChIInChI=1S/C9H18N4/c1-12-5-7-13(8-6-12)9-10-3-2-4-11-9/h2-8H2,1H3,(H,10,11)
InChIKeyYVUFSZBEZYSRJD-UHFFFAOYSA-N
MW182.27 g/mol
LogP-0.42
Rot. Bonds

About 2-(4-methylpiperazin-1-yl)-1,4,5,6-tetrahydropyrimidine

2-(4-methylpiperazin-1-yl)-1,4,5,6-tetrahydropyrimidine (PubChem CID 20631522) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-1,4,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-1,4,5,6-tetrahydropyrimidine
PubChem CID20631522
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name2-(4-methylpiperazin-1-yl)-1,4,5,6-tetrahydropyrimidine
SMILESCN1CCN(C2=NCCCN2)CC1
InChIInChI=1S/C9H18N4/c1-12-5-7-13(8-6-12)9-10-3-2-4-11-9/h2-8H2,1H3,(H,10,11)
InChIKeyYVUFSZBEZYSRJD-UHFFFAOYSA-N
XLogP-0.42
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 5-0.42
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)-1,4,5,6-tetrahydropyrimidine?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-1,4,5,6-tetrahydropyrimidine (CID 20631522) is 2-(4-methylpiperazin-1-yl)-1,4,5,6-tetrahydropyrimidine.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-1,4,5,6-tetrahydropyrimidine?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-1,4,5,6-tetrahydropyrimidine is CN1CCN(C2=NCCCN2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-1,4,5,6-tetrahydropyrimidine?
The InChIKey is YVUFSZBEZYSRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-12-5-7-13(8-6-12)9-10-3-2-4-11-9/h2-8H2,1H3,(H,10,11).
What are the key properties of 2-(4-methylpiperazin-1-yl)-1,4,5,6-tetrahydropyrimidine?
2-(4-methylpiperazin-1-yl)-1,4,5,6-tetrahydropyrimidine has a molecular weight of 182.27 g/mol, XLogP of -0.42, 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)-1,4,5,6-tetrahydropyrimidine is sourced from PubChem (CID 20631522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).