N-(2-piperazin-1-ylethyl)-6-propylpyrimidin-4-amine

C13H23N5 — CID 61241307

IUPACN-(2-piperazin-1-ylethyl)-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NCCN2CCNCC2)ncn1
InChIInChI=1S/C13H23N5/c1-2-3-12-10-13(17-11-16-12)15-6-9-18-7-4-14-5-8-18/h10-11,14H,2-9H2,1H3,(H,15,16,17)
InChIKeyQRWYHQDQCCFDEW-UHFFFAOYSA-N
MW249.36 g/mol
LogP0.75
Rot. Bonds6

About N-(2-piperazin-1-ylethyl)-6-propylpyrimidin-4-amine

N-(2-piperazin-1-ylethyl)-6-propylpyrimidin-4-amine (PubChem CID 61241307) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is N-(2-piperazin-1-ylethyl)-6-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-piperazin-1-ylethyl)-6-propylpyrimidin-4-amine
PubChem CID61241307
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC NameN-(2-piperazin-1-ylethyl)-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NCCN2CCNCC2)ncn1
InChIInChI=1S/C13H23N5/c1-2-3-12-10-13(17-11-16-12)15-6-9-18-7-4-14-5-8-18/h10-11,14H,2-9H2,1H3,(H,15,16,17)
InChIKeyQRWYHQDQCCFDEW-UHFFFAOYSA-N
XLogP0.75
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-piperazin-1-ylethyl)-6-propylpyrimidin-4-amine?
The IUPAC name of N-(2-piperazin-1-ylethyl)-6-propylpyrimidin-4-amine (CID 61241307) is N-(2-piperazin-1-ylethyl)-6-propylpyrimidin-4-amine.
What is the SMILES notation for N-(2-piperazin-1-ylethyl)-6-propylpyrimidin-4-amine?
The canonical SMILES for N-(2-piperazin-1-ylethyl)-6-propylpyrimidin-4-amine is CCCc1cc(NCCN2CCNCC2)ncn1.
What is the InChIKey of N-(2-piperazin-1-ylethyl)-6-propylpyrimidin-4-amine?
The InChIKey is QRWYHQDQCCFDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-2-3-12-10-13(17-11-16-12)15-6-9-18-7-4-14-5-8-18/h10-11,14H,2-9H2,1H3,(H,15,16,17).
What are the key properties of N-(2-piperazin-1-ylethyl)-6-propylpyrimidin-4-amine?
N-(2-piperazin-1-ylethyl)-6-propylpyrimidin-4-amine has a molecular weight of 249.36 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperazin-1-ylethyl)-6-propylpyrimidin-4-amine is sourced from PubChem (CID 61241307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).