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

C10H16ClN5 — CID 15567718

IUPAC4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCNc1nc(Cl)cc(N2CCN(C)CC2)n1
InChIInChI=1S/C10H16ClN5/c1-12-10-13-8(11)7-9(14-10)16-5-3-15(2)4-6-16/h7H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyZBVINRICLNEJJF-UHFFFAOYSA-N
MW241.73 g/mol
LogP0.92
Rot. Bonds2

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

4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine (PubChem CID 15567718) has the molecular formula C10H16ClN5 and a molecular weight of 241.73 g/mol. Its IUPAC name is 4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
PubChem CID15567718
Molecular FormulaC10H16ClN5
Molecular Weight241.73 g/mol
Exact Mass241.11
IUPAC Name4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCNc1nc(Cl)cc(N2CCN(C)CC2)n1
InChIInChI=1S/C10H16ClN5/c1-12-10-13-8(11)7-9(14-10)16-5-3-15(2)4-6-16/h7H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyZBVINRICLNEJJF-UHFFFAOYSA-N
XLogP0.92
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.73
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The IUPAC name of 4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine (CID 15567718) is 4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The canonical SMILES for 4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine is CNc1nc(Cl)cc(N2CCN(C)CC2)n1.
What is the InChIKey of 4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The InChIKey is ZBVINRICLNEJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN5/c1-12-10-13-8(11)7-9(14-10)16-5-3-15(2)4-6-16/h7H,3-6H2,1-2H3,(H,12,13,14).
What are the key properties of 4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine has a molecular weight of 241.73 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 15567718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).