(2-methyl-3-pyrrolidin-1-ylpyrrolidin-1-yl)-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone

C18H27N5O — CID 136542543

IUPAC(2-methyl-3-pyrrolidin-1-ylpyrrolidin-1-yl)-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone
SMILESCC1C(N2CCCC2)CCN1C(=O)c1ccnc(N2CCCC2)n1
InChIInChI=1S/C18H27N5O/c1-14-16(21-9-2-3-10-21)7-13-23(14)17(24)15-6-8-19-18(20-15)22-11-4-5-12-22/h6,8,14,16H,2-5,7,9-13H2,1H3
InChIKeyMVDABFSUWMWMDL-UHFFFAOYSA-N
MW329.45 g/mol
LogP1.78
Rot. Bonds3

About (2-methyl-3-pyrrolidin-1-ylpyrrolidin-1-yl)-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone

(2-methyl-3-pyrrolidin-1-ylpyrrolidin-1-yl)-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone (PubChem CID 136542543) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is (2-methyl-3-pyrrolidin-1-ylpyrrolidin-1-yl)-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone.

Molecular Properties

Compound Name(2-methyl-3-pyrrolidin-1-ylpyrrolidin-1-yl)-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone
PubChem CID136542543
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name(2-methyl-3-pyrrolidin-1-ylpyrrolidin-1-yl)-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone
SMILESCC1C(N2CCCC2)CCN1C(=O)c1ccnc(N2CCCC2)n1
InChIInChI=1S/C18H27N5O/c1-14-16(21-9-2-3-10-21)7-13-23(14)17(24)15-6-8-19-18(20-15)22-11-4-5-12-22/h6,8,14,16H,2-5,7,9-13H2,1H3
InChIKeyMVDABFSUWMWMDL-UHFFFAOYSA-N
XLogP1.78
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2-methyl-3-pyrrolidin-1-ylpyrrolidin-1-yl)-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone 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-(azepan-1-yl)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109312558
azepan-1-yl-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone
CID 109297545
2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 140686303
2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine-4-carboxylic acid
CID 107553688
1-(2-pyrrolidin-1-ylpyrimidin-4-yl)propan-1-one
CID 174680127
[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-pyrido[2,3-b]pyrazin-6-ylmethanone
CID 126810159
[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109310659
2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidine-4-carboxylic acid
CID 107553915
[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109298958
(4-methylpiperazin-1-yl)-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]methanone
CID 109302257
ethyl 4-[4-(2-ethylpiperidine-1-carbonyl)pyrimidin-2-yl]piperazine-1-carboxylate
CID 109310228
(4-phenylpiperazin-1-yl)-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone
CID 109297509

Frequently Asked Questions

What is the IUPAC name of (2-methyl-3-pyrrolidin-1-ylpyrrolidin-1-yl)-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone?
The IUPAC name of (2-methyl-3-pyrrolidin-1-ylpyrrolidin-1-yl)-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone (CID 136542543) is (2-methyl-3-pyrrolidin-1-ylpyrrolidin-1-yl)-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone.
What is the SMILES notation for (2-methyl-3-pyrrolidin-1-ylpyrrolidin-1-yl)-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone?
The canonical SMILES for (2-methyl-3-pyrrolidin-1-ylpyrrolidin-1-yl)-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone is CC1C(N2CCCC2)CCN1C(=O)c1ccnc(N2CCCC2)n1.
What is the InChIKey of (2-methyl-3-pyrrolidin-1-ylpyrrolidin-1-yl)-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone?
The InChIKey is MVDABFSUWMWMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-14-16(21-9-2-3-10-21)7-13-23(14)17(24)15-6-8-19-18(20-15)22-11-4-5-12-22/h6,8,14,16H,2-5,7,9-13H2,1H3.
What are the key properties of (2-methyl-3-pyrrolidin-1-ylpyrrolidin-1-yl)-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone?
(2-methyl-3-pyrrolidin-1-ylpyrrolidin-1-yl)-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone has a molecular weight of 329.45 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3-pyrrolidin-1-ylpyrrolidin-1-yl)-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone is sourced from PubChem (CID 136542543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).