2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine

C16H21N5 — CID 70756171

IUPAC2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
SMILESc1cnc(N2CCC(c3nccn3CC3CC3)CC2)nc1
InChIInChI=1S/C16H21N5/c1-6-18-16(19-7-1)20-9-4-14(5-10-20)15-17-8-11-21(15)12-13-2-3-13/h1,6-8,11,13-14H,2-5,9-10,12H2
InChIKeyNWFGJUOARBXNRK-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.47
Rot. Bonds4

About 2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine

2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine (PubChem CID 70756171) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
PubChem CID70756171
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
SMILESc1cnc(N2CCC(c3nccn3CC3CC3)CC2)nc1
InChIInChI=1S/C16H21N5/c1-6-18-16(19-7-1)20-9-4-14(5-10-20)15-17-8-11-21(15)12-13-2-3-13/h1,6-8,11,13-14H,2-5,9-10,12H2
InChIKeyNWFGJUOARBXNRK-UHFFFAOYSA-N
XLogP2.47
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine?
The IUPAC name of 2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine (CID 70756171) is 2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine is c1cnc(N2CCC(c3nccn3CC3CC3)CC2)nc1.
What is the InChIKey of 2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine?
The InChIKey is NWFGJUOARBXNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-6-18-16(19-7-1)20-9-4-14(5-10-20)15-17-8-11-21(15)12-13-2-3-13/h1,6-8,11,13-14H,2-5,9-10,12H2.
What are the key properties of 2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine?
2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine has a molecular weight of 283.38 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine is sourced from PubChem (CID 70756171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).