4,5-dimethyl-6-(4-pyridin-4-yloxypiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine

C20H27N5O — CID 135111140

IUPAC4,5-dimethyl-6-(4-pyridin-4-yloxypiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine
SMILESCc1nc(N2CCCC2)nc(N2CCC(Oc3ccncc3)CC2)c1C
InChIInChI=1S/C20H27N5O/c1-15-16(2)22-20(25-11-3-4-12-25)23-19(15)24-13-7-18(8-14-24)26-17-5-9-21-10-6-17/h5-6,9-10,18H,3-4,7-8,11-14H2,1-2H3
InChIKeyYCURKBRYVZOQIY-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.14
Rot. Bonds4

About 4,5-dimethyl-6-(4-pyridin-4-yloxypiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine

4,5-dimethyl-6-(4-pyridin-4-yloxypiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine (PubChem CID 135111140) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 4,5-dimethyl-6-(4-pyridin-4-yloxypiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name4,5-dimethyl-6-(4-pyridin-4-yloxypiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine
PubChem CID135111140
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name4,5-dimethyl-6-(4-pyridin-4-yloxypiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine
SMILESCc1nc(N2CCCC2)nc(N2CCC(Oc3ccncc3)CC2)c1C
InChIInChI=1S/C20H27N5O/c1-15-16(2)22-20(25-11-3-4-12-25)23-19(15)24-13-7-18(8-14-24)26-17-5-9-21-10-6-17/h5-6,9-10,18H,3-4,7-8,11-14H2,1-2H3
InChIKeyYCURKBRYVZOQIY-UHFFFAOYSA-N
XLogP3.14
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4,5-dimethyl-6-(4-pyridin-4-yloxypiperidin-1-yl)-2-pyrrolidin-1-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

4-(4-Methoxy-3-pyridinyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 25129883
Propan-2-yl 4-[[7-(5-cyano-2-pyridinyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]piperidine-1-carboxylate
CID 44177592
N-((3S,4S)-4-fluoropiperidin-3-yl)-4-(7-isopropoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine
CID 167450061
4-[6-[(1-Methyl-4-phenylimidazol-2-yl)methoxy]-2-pyridin-3-ylpyrimidin-4-yl]morpholine
CID 165414975
Propan-2-yl 4-[5-methyl-6-[(2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 57397673
US10196391, Example 99
CID 121455938
US10196391, Example 71
CID 121455986
6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(4-methoxy-2-pyridyl)-2-phenyl-pyrimidin-4-amine
CID 70681212
Propan-2-yl 4-[[7-(2-methyl-3-pyridinyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]piperidine-1-carboxylate
CID 24900242
Propan-2-yl 4-[[7-(5-fluoro-2-pyridinyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]piperidine-1-carboxylate
CID 44177593
US10196391, Example 70
CID 121455953
(E)-4-methoxy-3,5-dimethyl-2-(2-(6-(pyrrolidin-1-yl)pyridin-2-yl)vinyl)pyridine
CID 72706419

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-6-(4-pyridin-4-yloxypiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 4,5-dimethyl-6-(4-pyridin-4-yloxypiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine (CID 135111140) is 4,5-dimethyl-6-(4-pyridin-4-yloxypiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 4,5-dimethyl-6-(4-pyridin-4-yloxypiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 4,5-dimethyl-6-(4-pyridin-4-yloxypiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine is Cc1nc(N2CCCC2)nc(N2CCC(Oc3ccncc3)CC2)c1C.
What is the InChIKey of 4,5-dimethyl-6-(4-pyridin-4-yloxypiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine?
The InChIKey is YCURKBRYVZOQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-15-16(2)22-20(25-11-3-4-12-25)23-19(15)24-13-7-18(8-14-24)26-17-5-9-21-10-6-17/h5-6,9-10,18H,3-4,7-8,11-14H2,1-2H3.
What are the key properties of 4,5-dimethyl-6-(4-pyridin-4-yloxypiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine?
4,5-dimethyl-6-(4-pyridin-4-yloxypiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine has a molecular weight of 353.47 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-6-(4-pyridin-4-yloxypiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 135111140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).