4-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-6-methyl-2-pyridin-3-ylpyrimidine

C21H27N5 — CID 133344382

IUPAC4-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-6-methyl-2-pyridin-3-ylpyrimidine
SMILESCc1cc(N2CCN(C3CC4CCC3C4)CC2)nc(-c2cccnc2)n1
InChIInChI=1S/C21H27N5/c1-15-11-20(24-21(23-15)18-3-2-6-22-14-18)26-9-7-25(8-10-26)19-13-16-4-5-17(19)12-16/h2-3,6,11,14,16-17,19H,4-5,7-10,12-13H2,1H3
InChIKeyFLBGWUMGFZYDMJ-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.16
Rot. Bonds3

About 4-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-6-methyl-2-pyridin-3-ylpyrimidine

4-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-6-methyl-2-pyridin-3-ylpyrimidine (PubChem CID 133344382) has the molecular formula C21H27N5 and a molecular weight of 349.48 g/mol. Its IUPAC name is 4-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-6-methyl-2-pyridin-3-ylpyrimidine.

Molecular Properties

Compound Name4-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-6-methyl-2-pyridin-3-ylpyrimidine
PubChem CID133344382
Molecular FormulaC21H27N5
Molecular Weight349.48 g/mol
Exact Mass349.23
IUPAC Name4-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-6-methyl-2-pyridin-3-ylpyrimidine
SMILESCc1cc(N2CCN(C3CC4CCC3C4)CC2)nc(-c2cccnc2)n1
InChIInChI=1S/C21H27N5/c1-15-11-20(24-21(23-15)18-3-2-6-22-14-18)26-9-7-25(8-10-26)19-13-16-4-5-17(19)12-16/h2-3,6,11,14,16-17,19H,4-5,7-10,12-13H2,1H3
InChIKeyFLBGWUMGFZYDMJ-UHFFFAOYSA-N
XLogP3.16
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-6-methyl-2-pyridin-3-ylpyrimidine with MolForge

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

Launch Full Analysis

Related Compounds

cis-(1R,2S)-2-[4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]cyclopentan-1-ol
CID 97185427
2-[1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-4-yl]propan-1-ol
CID 167789936
2-[4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]acetic acid
CID 56768554
4-(4-but-3-ynylpiperazin-1-yl)-6-methyl-2-pyridin-3-ylpyrimidine
CID 133276430
4-[4-[1-(cyclopropylmethyl)piperidin-4-yl]piperidin-1-yl]-6-methyl-2-pyridin-3-ylpyrimidine;formic acid
CID 155940183
4-methyl-6-[(3R)-3-phenoxypyrrolidin-1-yl]-2-pyridin-3-ylpyrimidine
CID 154842652
1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 56767522
1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 133276362
3-methyl-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-4-one
CID 133497431
4-methyl-2-pyridin-3-yl-6-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pyrimidine
CID 133279604
4-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-6-methyl-2-pyridin-3-ylpyrimidine
CID 133464903
4,6-dimethyl-2-pyridin-3-ylpyrimidine
CID 55218547

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-6-methyl-2-pyridin-3-ylpyrimidine?
The IUPAC name of 4-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-6-methyl-2-pyridin-3-ylpyrimidine (CID 133344382) is 4-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-6-methyl-2-pyridin-3-ylpyrimidine.
What is the SMILES notation for 4-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-6-methyl-2-pyridin-3-ylpyrimidine?
The canonical SMILES for 4-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-6-methyl-2-pyridin-3-ylpyrimidine is Cc1cc(N2CCN(C3CC4CCC3C4)CC2)nc(-c2cccnc2)n1.
What is the InChIKey of 4-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-6-methyl-2-pyridin-3-ylpyrimidine?
The InChIKey is FLBGWUMGFZYDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5/c1-15-11-20(24-21(23-15)18-3-2-6-22-14-18)26-9-7-25(8-10-26)19-13-16-4-5-17(19)12-16/h2-3,6,11,14,16-17,19H,4-5,7-10,12-13H2,1H3.
What are the key properties of 4-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-6-methyl-2-pyridin-3-ylpyrimidine?
4-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-6-methyl-2-pyridin-3-ylpyrimidine has a molecular weight of 349.48 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-6-methyl-2-pyridin-3-ylpyrimidine is sourced from PubChem (CID 133344382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).