N-[(1-methylpiperazin-2-yl)methyl]-5-propylpyrimidin-2-amine

C13H23N5 — CID 116976024

IUPACN-[(1-methylpiperazin-2-yl)methyl]-5-propylpyrimidin-2-amine
SMILESCCCc1cnc(NCC2CNCCN2C)nc1
InChIInChI=1S/C13H23N5/c1-3-4-11-7-15-13(16-8-11)17-10-12-9-14-5-6-18(12)2/h7-8,12,14H,3-6,9-10H2,1-2H3,(H,15,16,17)
InChIKeyWFTYOCUDTXAVRA-UHFFFAOYSA-N
MW249.36 g/mol
LogP0.74
Rot. Bonds5

About N-[(1-methylpiperazin-2-yl)methyl]-5-propylpyrimidin-2-amine

N-[(1-methylpiperazin-2-yl)methyl]-5-propylpyrimidin-2-amine (PubChem CID 116976024) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[(1-methylpiperazin-2-yl)methyl]-5-propylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(1-methylpiperazin-2-yl)methyl]-5-propylpyrimidin-2-amine
PubChem CID116976024
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC NameN-[(1-methylpiperazin-2-yl)methyl]-5-propylpyrimidin-2-amine
SMILESCCCc1cnc(NCC2CNCCN2C)nc1
InChIInChI=1S/C13H23N5/c1-3-4-11-7-15-13(16-8-11)17-10-12-9-14-5-6-18(12)2/h7-8,12,14H,3-6,9-10H2,1-2H3,(H,15,16,17)
InChIKeyWFTYOCUDTXAVRA-UHFFFAOYSA-N
XLogP0.74
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperazin-2-yl)methyl]-5-propylpyrimidin-2-amine?
The IUPAC name of N-[(1-methylpiperazin-2-yl)methyl]-5-propylpyrimidin-2-amine (CID 116976024) is N-[(1-methylpiperazin-2-yl)methyl]-5-propylpyrimidin-2-amine.
What is the SMILES notation for N-[(1-methylpiperazin-2-yl)methyl]-5-propylpyrimidin-2-amine?
The canonical SMILES for N-[(1-methylpiperazin-2-yl)methyl]-5-propylpyrimidin-2-amine is CCCc1cnc(NCC2CNCCN2C)nc1.
What is the InChIKey of N-[(1-methylpiperazin-2-yl)methyl]-5-propylpyrimidin-2-amine?
The InChIKey is WFTYOCUDTXAVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-3-4-11-7-15-13(16-8-11)17-10-12-9-14-5-6-18(12)2/h7-8,12,14H,3-6,9-10H2,1-2H3,(H,15,16,17).
What are the key properties of N-[(1-methylpiperazin-2-yl)methyl]-5-propylpyrimidin-2-amine?
N-[(1-methylpiperazin-2-yl)methyl]-5-propylpyrimidin-2-amine has a molecular weight of 249.36 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperazin-2-yl)methyl]-5-propylpyrimidin-2-amine is sourced from PubChem (CID 116976024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).