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

C11H18ClN5 — CID 15567736

IUPAC4-chloro-N,5-dimethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCNc1nc(Cl)c(C)c(N2CCN(C)CC2)n1
InChIInChI=1S/C11H18ClN5/c1-8-9(12)14-11(13-2)15-10(8)17-6-4-16(3)5-7-17/h4-7H2,1-3H3,(H,13,14,15)
InChIKeyZMQQJTAIMPYSKL-UHFFFAOYSA-N
MW255.75 g/mol
LogP1.23
Rot. Bonds2

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

4-chloro-N,5-dimethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine (PubChem CID 15567736) has the molecular formula C11H18ClN5 and a molecular weight of 255.75 g/mol. Its IUPAC name is 4-chloro-N,5-dimethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-N,5-dimethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
PubChem CID15567736
Molecular FormulaC11H18ClN5
Molecular Weight255.75 g/mol
Exact Mass255.13
IUPAC Name4-chloro-N,5-dimethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCNc1nc(Cl)c(C)c(N2CCN(C)CC2)n1
InChIInChI=1S/C11H18ClN5/c1-8-9(12)14-11(13-2)15-10(8)17-6-4-16(3)5-7-17/h4-7H2,1-3H3,(H,13,14,15)
InChIKeyZMQQJTAIMPYSKL-UHFFFAOYSA-N
XLogP1.23
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,5-dimethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The IUPAC name of 4-chloro-N,5-dimethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine (CID 15567736) is 4-chloro-N,5-dimethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-N,5-dimethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The canonical SMILES for 4-chloro-N,5-dimethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine is CNc1nc(Cl)c(C)c(N2CCN(C)CC2)n1.
What is the InChIKey of 4-chloro-N,5-dimethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The InChIKey is ZMQQJTAIMPYSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN5/c1-8-9(12)14-11(13-2)15-10(8)17-6-4-16(3)5-7-17/h4-7H2,1-3H3,(H,13,14,15).
What are the key properties of 4-chloro-N,5-dimethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
4-chloro-N,5-dimethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine has a molecular weight of 255.75 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,5-dimethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 15567736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).