4,5-dimethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine

C11H19N5 — CID 24994949

IUPAC4,5-dimethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCc1nc(N)nc(N2CCN(C)CC2)c1C
InChIInChI=1S/C11H19N5/c1-8-9(2)13-11(12)14-10(8)16-6-4-15(3)5-7-16/h4-7H2,1-3H3,(H2,12,13,14)
InChIKeyIWFNFWZHKGCTEF-UHFFFAOYSA-N
MW221.31 g/mol
LogP0.43
Rot. Bonds1

About 4,5-dimethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine

4,5-dimethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine (PubChem CID 24994949) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is 4,5-dimethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4,5-dimethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
PubChem CID24994949
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name4,5-dimethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCc1nc(N)nc(N2CCN(C)CC2)c1C
InChIInChI=1S/C11H19N5/c1-8-9(2)13-11(12)14-10(8)16-6-4-15(3)5-7-16/h4-7H2,1-3H3,(H2,12,13,14)
InChIKeyIWFNFWZHKGCTEF-UHFFFAOYSA-N
XLogP0.43
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The IUPAC name of 4,5-dimethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine (CID 24994949) is 4,5-dimethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 4,5-dimethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The canonical SMILES for 4,5-dimethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine is Cc1nc(N)nc(N2CCN(C)CC2)c1C.
What is the InChIKey of 4,5-dimethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The InChIKey is IWFNFWZHKGCTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c1-8-9(2)13-11(12)14-10(8)16-6-4-15(3)5-7-16/h4-7H2,1-3H3,(H2,12,13,14).
What are the key properties of 4,5-dimethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
4,5-dimethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine has a molecular weight of 221.31 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 24994949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).