4-cyclopropyl-2-(2-piperazin-1-ylpropan-2-yl)pyrimidine

C14H22N4 — CID 63342953

IUPAC4-cyclopropyl-2-(2-piperazin-1-ylpropan-2-yl)pyrimidine
SMILESCC(C)(c1nccc(C2CC2)n1)N1CCNCC1
InChIInChI=1S/C14H22N4/c1-14(2,18-9-7-15-8-10-18)13-16-6-5-12(17-13)11-3-4-11/h5-6,11,15H,3-4,7-10H2,1-2H3
InChIKeyPAWMMHPTKYBDIV-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.49
Rot. Bonds3

About 4-cyclopropyl-2-(2-piperazin-1-ylpropan-2-yl)pyrimidine

4-cyclopropyl-2-(2-piperazin-1-ylpropan-2-yl)pyrimidine (PubChem CID 63342953) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 4-cyclopropyl-2-(2-piperazin-1-ylpropan-2-yl)pyrimidine.

Molecular Properties

Compound Name4-cyclopropyl-2-(2-piperazin-1-ylpropan-2-yl)pyrimidine
PubChem CID63342953
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name4-cyclopropyl-2-(2-piperazin-1-ylpropan-2-yl)pyrimidine
SMILESCC(C)(c1nccc(C2CC2)n1)N1CCNCC1
InChIInChI=1S/C14H22N4/c1-14(2,18-9-7-15-8-10-18)13-16-6-5-12(17-13)11-3-4-11/h5-6,11,15H,3-4,7-10H2,1-2H3
InChIKeyPAWMMHPTKYBDIV-UHFFFAOYSA-N
XLogP1.49
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-(2-piperazin-1-ylpropan-2-yl)pyrimidine?
The IUPAC name of 4-cyclopropyl-2-(2-piperazin-1-ylpropan-2-yl)pyrimidine (CID 63342953) is 4-cyclopropyl-2-(2-piperazin-1-ylpropan-2-yl)pyrimidine.
What is the SMILES notation for 4-cyclopropyl-2-(2-piperazin-1-ylpropan-2-yl)pyrimidine?
The canonical SMILES for 4-cyclopropyl-2-(2-piperazin-1-ylpropan-2-yl)pyrimidine is CC(C)(c1nccc(C2CC2)n1)N1CCNCC1.
What is the InChIKey of 4-cyclopropyl-2-(2-piperazin-1-ylpropan-2-yl)pyrimidine?
The InChIKey is PAWMMHPTKYBDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-14(2,18-9-7-15-8-10-18)13-16-6-5-12(17-13)11-3-4-11/h5-6,11,15H,3-4,7-10H2,1-2H3.
What are the key properties of 4-cyclopropyl-2-(2-piperazin-1-ylpropan-2-yl)pyrimidine?
4-cyclopropyl-2-(2-piperazin-1-ylpropan-2-yl)pyrimidine has a molecular weight of 246.36 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(2-piperazin-1-ylpropan-2-yl)pyrimidine is sourced from PubChem (CID 63342953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).