4-methyl-N-(2-piperazin-1-ylethyl)pyrimidin-2-amine

C11H19N5 — CID 62958220

IUPAC4-methyl-N-(2-piperazin-1-ylethyl)pyrimidin-2-amine
SMILESCc1ccnc(NCCN2CCNCC2)n1
InChIInChI=1S/C11H19N5/c1-10-2-3-13-11(15-10)14-6-9-16-7-4-12-5-8-16/h2-3,12H,4-9H2,1H3,(H,13,14,15)
InChIKeyCIWUTRDHAHDFCC-UHFFFAOYSA-N
MW221.31 g/mol
LogP0.10
Rot. Bonds4

About 4-methyl-N-(2-piperazin-1-ylethyl)pyrimidin-2-amine

4-methyl-N-(2-piperazin-1-ylethyl)pyrimidin-2-amine (PubChem CID 62958220) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is 4-methyl-N-(2-piperazin-1-ylethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-N-(2-piperazin-1-ylethyl)pyrimidin-2-amine
PubChem CID62958220
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name4-methyl-N-(2-piperazin-1-ylethyl)pyrimidin-2-amine
SMILESCc1ccnc(NCCN2CCNCC2)n1
InChIInChI=1S/C11H19N5/c1-10-2-3-13-11(15-10)14-6-9-16-7-4-12-5-8-16/h2-3,12H,4-9H2,1H3,(H,13,14,15)
InChIKeyCIWUTRDHAHDFCC-UHFFFAOYSA-N
XLogP0.10
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-piperazin-1-ylethyl)pyrimidin-2-amine?
The IUPAC name of 4-methyl-N-(2-piperazin-1-ylethyl)pyrimidin-2-amine (CID 62958220) is 4-methyl-N-(2-piperazin-1-ylethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-N-(2-piperazin-1-ylethyl)pyrimidin-2-amine?
The canonical SMILES for 4-methyl-N-(2-piperazin-1-ylethyl)pyrimidin-2-amine is Cc1ccnc(NCCN2CCNCC2)n1.
What is the InChIKey of 4-methyl-N-(2-piperazin-1-ylethyl)pyrimidin-2-amine?
The InChIKey is CIWUTRDHAHDFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c1-10-2-3-13-11(15-10)14-6-9-16-7-4-12-5-8-16/h2-3,12H,4-9H2,1H3,(H,13,14,15).
What are the key properties of 4-methyl-N-(2-piperazin-1-ylethyl)pyrimidin-2-amine?
4-methyl-N-(2-piperazin-1-ylethyl)pyrimidin-2-amine has a molecular weight of 221.31 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-piperazin-1-ylethyl)pyrimidin-2-amine is sourced from PubChem (CID 62958220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).