2-cyclopropyl-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine

C13H21N5 — CID 80955969

IUPAC2-cyclopropyl-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
SMILESCNc1cc(N2CCN(C)CC2)nc(C2CC2)n1
InChIInChI=1S/C13H21N5/c1-14-11-9-12(16-13(15-11)10-3-4-10)18-7-5-17(2)6-8-18/h9-10H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyKUSANHYJVHSFAR-UHFFFAOYSA-N
MW247.35 g/mol
LogP1.15
Rot. Bonds3

About 2-cyclopropyl-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine

2-cyclopropyl-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 80955969) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 2-cyclopropyl-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID80955969
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name2-cyclopropyl-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
SMILESCNc1cc(N2CCN(C)CC2)nc(C2CC2)n1
InChIInChI=1S/C13H21N5/c1-14-11-9-12(16-13(15-11)10-3-4-10)18-7-5-17(2)6-8-18/h9-10H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyKUSANHYJVHSFAR-UHFFFAOYSA-N
XLogP1.15
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine (CID 80955969) is 2-cyclopropyl-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine is CNc1cc(N2CCN(C)CC2)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is KUSANHYJVHSFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-14-11-9-12(16-13(15-11)10-3-4-10)18-7-5-17(2)6-8-18/h9-10H,3-8H2,1-2H3,(H,14,15,16).
What are the key properties of 2-cyclopropyl-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
2-cyclopropyl-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 247.35 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 80955969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).