2-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]propanamide

C12H19N5O — CID 75433516

IUPAC2-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]propanamide
SMILESCc1cnc(N2CCN(C(C)C(N)=O)CC2)nc1
InChIInChI=1S/C12H19N5O/c1-9-7-14-12(15-8-9)17-5-3-16(4-6-17)10(2)11(13)18/h7-8,10H,3-6H2,1-2H3,(H2,13,18)
InChIKeyJFAMCUOCYKMURS-UHFFFAOYSA-N
MW249.32 g/mol
LogP-0.22
Rot. Bonds3

About 2-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]propanamide

2-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]propanamide (PubChem CID 75433516) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 2-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name2-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]propanamide
PubChem CID75433516
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name2-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]propanamide
SMILESCc1cnc(N2CCN(C(C)C(N)=O)CC2)nc1
InChIInChI=1S/C12H19N5O/c1-9-7-14-12(15-8-9)17-5-3-16(4-6-17)10(2)11(13)18/h7-8,10H,3-6H2,1-2H3,(H2,13,18)
InChIKeyJFAMCUOCYKMURS-UHFFFAOYSA-N
XLogP-0.22
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]propanamide?
The IUPAC name of 2-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]propanamide (CID 75433516) is 2-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]propanamide.
What is the SMILES notation for 2-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]propanamide?
The canonical SMILES for 2-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]propanamide is Cc1cnc(N2CCN(C(C)C(N)=O)CC2)nc1.
What is the InChIKey of 2-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]propanamide?
The InChIKey is JFAMCUOCYKMURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-9-7-14-12(15-8-9)17-5-3-16(4-6-17)10(2)11(13)18/h7-8,10H,3-6H2,1-2H3,(H2,13,18).
What are the key properties of 2-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]propanamide?
2-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]propanamide has a molecular weight of 249.32 g/mol, XLogP of -0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]propanamide is sourced from PubChem (CID 75433516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).