4-(4-methylpiperazin-1-yl)-1-propan-2-yl-2H-pyrimidine

C12H22N4 — CID 174833392

IUPAC4-(4-methylpiperazin-1-yl)-1-propan-2-yl-2H-pyrimidine
SMILESCC(C)N1C=CC(N2CCN(C)CC2)=NC1
InChIInChI=1S/C12H22N4/c1-11(2)16-5-4-12(13-10-16)15-8-6-14(3)7-9-15/h4-5,11H,6-10H2,1-3H3
InChIKeyGVJZPOOGGQAYIN-UHFFFAOYSA-N
MW222.34 g/mol
LogP0.83
Rot. Bonds1

About 4-(4-methylpiperazin-1-yl)-1-propan-2-yl-2H-pyrimidine

4-(4-methylpiperazin-1-yl)-1-propan-2-yl-2H-pyrimidine (PubChem CID 174833392) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-1-propan-2-yl-2H-pyrimidine.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-1-propan-2-yl-2H-pyrimidine
PubChem CID174833392
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name4-(4-methylpiperazin-1-yl)-1-propan-2-yl-2H-pyrimidine
SMILESCC(C)N1C=CC(N2CCN(C)CC2)=NC1
InChIInChI=1S/C12H22N4/c1-11(2)16-5-4-12(13-10-16)15-8-6-14(3)7-9-15/h4-5,11H,6-10H2,1-3H3
InChIKeyGVJZPOOGGQAYIN-UHFFFAOYSA-N
XLogP0.83
TPSA22.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-1-propan-2-yl-2H-pyrimidine?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-1-propan-2-yl-2H-pyrimidine (CID 174833392) is 4-(4-methylpiperazin-1-yl)-1-propan-2-yl-2H-pyrimidine.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-1-propan-2-yl-2H-pyrimidine?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-1-propan-2-yl-2H-pyrimidine is CC(C)N1C=CC(N2CCN(C)CC2)=NC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-1-propan-2-yl-2H-pyrimidine?
The InChIKey is GVJZPOOGGQAYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-11(2)16-5-4-12(13-10-16)15-8-6-14(3)7-9-15/h4-5,11H,6-10H2,1-3H3.
What are the key properties of 4-(4-methylpiperazin-1-yl)-1-propan-2-yl-2H-pyrimidine?
4-(4-methylpiperazin-1-yl)-1-propan-2-yl-2H-pyrimidine has a molecular weight of 222.34 g/mol, XLogP of 0.83, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-1-propan-2-yl-2H-pyrimidine is sourced from PubChem (CID 174833392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).