2-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine

C18H21N7 — CID 72933428

IUPAC2-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
SMILESNc1ccnc(N2CCC(c3nccn3Cc3cccnc3)CC2)n1
InChIInChI=1S/C18H21N7/c19-16-3-7-22-18(23-16)24-9-4-15(5-10-24)17-21-8-11-25(17)13-14-2-1-6-20-12-14/h1-3,6-8,11-12,15H,4-5,9-10,13H2,(H2,19,22,23)
InChIKeyGFMQVZFBFMSJIX-UHFFFAOYSA-N
MW335.42 g/mol
LogP2.08
Rot. Bonds4

About 2-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine

2-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine (PubChem CID 72933428) has the molecular formula C18H21N7 and a molecular weight of 335.42 g/mol. Its IUPAC name is 2-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
PubChem CID72933428
Molecular FormulaC18H21N7
Molecular Weight335.42 g/mol
Exact Mass335.19
IUPAC Name2-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
SMILESNc1ccnc(N2CCC(c3nccn3Cc3cccnc3)CC2)n1
InChIInChI=1S/C18H21N7/c19-16-3-7-22-18(23-16)24-9-4-15(5-10-24)17-21-8-11-25(17)13-14-2-1-6-20-12-14/h1-3,6-8,11-12,15H,4-5,9-10,13H2,(H2,19,22,23)
InChIKeyGFMQVZFBFMSJIX-UHFFFAOYSA-N
XLogP2.08
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine 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

2,6-dimethyl-4-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine
CID 70721028
2-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline
CID 70725155
2-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
CID 97285685
2-methyl-5-propyl-4-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
CID 72900364
2-methylsulfanyl-6-[3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
CID 70760255
4-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridin-2-amine
CID 72930498
N-[[6-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-pyridinyl]methyl]acetamide
CID 72852570
(2-ethyl-4-pyridinyl)-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72855314
5-methyl-2-[3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine
CID 70776652
2-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
CID 97202197
4-[(3S)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline
CID 97155167
(5-methyl-1H-imidazol-2-yl)-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72870005

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine?
The IUPAC name of 2-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine (CID 72933428) is 2-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 2-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine is Nc1ccnc(N2CCC(c3nccn3Cc3cccnc3)CC2)n1.
What is the InChIKey of 2-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine?
The InChIKey is GFMQVZFBFMSJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7/c19-16-3-7-22-18(23-16)24-9-4-15(5-10-24)17-21-8-11-25(17)13-14-2-1-6-20-12-14/h1-3,6-8,11-12,15H,4-5,9-10,13H2,(H2,19,22,23).
What are the key properties of 2-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine?
2-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine has a molecular weight of 335.42 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 72933428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).