(2-methylpyrimidin-4-yl)-[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]methanone

C14H15N5O — CID 124978935

IUPAC(2-methylpyrimidin-4-yl)-[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]methanone
SMILESCc1nccc(C(=O)N2CCC[C@H]2c2ccncn2)n1
InChIInChI=1S/C14H15N5O/c1-10-16-7-5-12(18-10)14(20)19-8-2-3-13(19)11-4-6-15-9-17-11/h4-7,9,13H,2-3,8H2,1H3/t13-/m0/s1
InChIKeyLXKUNMWDVWGMTP-ZDUSSCGKSA-N
MW269.31 g/mol
LogP1.55
Rot. Bonds2

About (2-methylpyrimidin-4-yl)-[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]methanone

(2-methylpyrimidin-4-yl)-[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]methanone (PubChem CID 124978935) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is (2-methylpyrimidin-4-yl)-[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylpyrimidin-4-yl)-[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]methanone
PubChem CID124978935
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name(2-methylpyrimidin-4-yl)-[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]methanone
SMILESCc1nccc(C(=O)N2CCC[C@H]2c2ccncn2)n1
InChIInChI=1S/C14H15N5O/c1-10-16-7-5-12(18-10)14(20)19-8-2-3-13(19)11-4-6-15-9-17-11/h4-7,9,13H,2-3,8H2,1H3/t13-/m0/s1
InChIKeyLXKUNMWDVWGMTP-ZDUSSCGKSA-N
XLogP1.55
TPSA71.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2-methylpyrimidin-4-yl)-[(2S)-2-pyrimidin-4-ylpyrrolidin-1-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

(3-methyl-2-pyridinyl)-[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]methanone
CID 124953337
1,6-dimethyl-3-(2-pyrimidin-4-ylpyrrolidine-1-carbonyl)pyridin-2-one
CID 110118870
[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-pyrimidin-4-ylmethanone
CID 110114980
[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-pyrimidin-4-ylmethanone
CID 110135482
cyclobutyl-[(2S)-2-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 95730645
2,3-dihydro-1H-inden-5-yl-(2-pyrimidin-4-ylpyrrolidin-1-yl)methanone
CID 110114784
(6-fluoroisoquinolin-4-yl)-(2-pyrimidin-4-ylpyrrolidin-1-yl)methanone
CID 166384198
[(2R)-2-pyrimidin-4-ylpyrrolidin-1-yl]-quinolin-5-ylmethanone
CID 124946102
[(2S)-2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]-(2-pyrrolidin-1-yl-4-pyridinyl)methanone
CID 124978558
[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
CID 124949721
[(2R)-2-[2-[(3-methyl-2-pyridinyl)amino]-4-pyridinyl]pyrrolidin-1-yl]-(2-methylpyrimidin-4-yl)methanone
CID 125002330
2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1-[(2R)-2-pyrimidin-4-ylpyrrolidin-1-yl]ethanone
CID 125021333

Frequently Asked Questions

What is the IUPAC name of (2-methylpyrimidin-4-yl)-[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]methanone?
The IUPAC name of (2-methylpyrimidin-4-yl)-[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]methanone (CID 124978935) is (2-methylpyrimidin-4-yl)-[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-methylpyrimidin-4-yl)-[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for (2-methylpyrimidin-4-yl)-[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]methanone is Cc1nccc(C(=O)N2CCC[C@H]2c2ccncn2)n1.
What is the InChIKey of (2-methylpyrimidin-4-yl)-[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]methanone?
The InChIKey is LXKUNMWDVWGMTP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H15N5O/c1-10-16-7-5-12(18-10)14(20)19-8-2-3-13(19)11-4-6-15-9-17-11/h4-7,9,13H,2-3,8H2,1H3/t13-/m0/s1.
What are the key properties of (2-methylpyrimidin-4-yl)-[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]methanone?
(2-methylpyrimidin-4-yl)-[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]methanone has a molecular weight of 269.31 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrimidin-4-yl)-[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 124978935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).