2-[(2-cyclopropylpiperazin-1-yl)methyl]pyrimidine

C12H18N4 — CID 64833734

IUPAC2-[(2-cyclopropylpiperazin-1-yl)methyl]pyrimidine
SMILESc1cnc(CN2CCNCC2C2CC2)nc1
InChIInChI=1S/C12H18N4/c1-4-14-12(15-5-1)9-16-7-6-13-8-11(16)10-2-3-10/h1,4-5,10-11,13H,2-3,6-9H2
InChIKeyPEYZQHWZSWIIRZ-UHFFFAOYSA-N
MW218.30 g/mol
LogP0.66
Rot. Bonds3

About 2-[(2-cyclopropylpiperazin-1-yl)methyl]pyrimidine

2-[(2-cyclopropylpiperazin-1-yl)methyl]pyrimidine (PubChem CID 64833734) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-[(2-cyclopropylpiperazin-1-yl)methyl]pyrimidine.

Molecular Properties

Compound Name2-[(2-cyclopropylpiperazin-1-yl)methyl]pyrimidine
PubChem CID64833734
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name2-[(2-cyclopropylpiperazin-1-yl)methyl]pyrimidine
SMILESc1cnc(CN2CCNCC2C2CC2)nc1
InChIInChI=1S/C12H18N4/c1-4-14-12(15-5-1)9-16-7-6-13-8-11(16)10-2-3-10/h1,4-5,10-11,13H,2-3,6-9H2
InChIKeyPEYZQHWZSWIIRZ-UHFFFAOYSA-N
XLogP0.66
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopropylpiperazin-1-yl)methyl]pyrimidine?
The IUPAC name of 2-[(2-cyclopropylpiperazin-1-yl)methyl]pyrimidine (CID 64833734) is 2-[(2-cyclopropylpiperazin-1-yl)methyl]pyrimidine.
What is the SMILES notation for 2-[(2-cyclopropylpiperazin-1-yl)methyl]pyrimidine?
The canonical SMILES for 2-[(2-cyclopropylpiperazin-1-yl)methyl]pyrimidine is c1cnc(CN2CCNCC2C2CC2)nc1.
What is the InChIKey of 2-[(2-cyclopropylpiperazin-1-yl)methyl]pyrimidine?
The InChIKey is PEYZQHWZSWIIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-4-14-12(15-5-1)9-16-7-6-13-8-11(16)10-2-3-10/h1,4-5,10-11,13H,2-3,6-9H2.
What are the key properties of 2-[(2-cyclopropylpiperazin-1-yl)methyl]pyrimidine?
2-[(2-cyclopropylpiperazin-1-yl)methyl]pyrimidine has a molecular weight of 218.30 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopropylpiperazin-1-yl)methyl]pyrimidine is sourced from PubChem (CID 64833734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).