(2,4-dimethylpyrimidin-5-yl)-[(2R)-2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]methanone

C20H22N6OS — CID 95835423

IUPAC(2,4-dimethylpyrimidin-5-yl)-[(2R)-2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]methanone
SMILESCc1csc(Nc2cccc([C@H]3CCCN3C(=O)c3cnc(C)nc3C)n2)n1
InChIInChI=1S/C20H22N6OS/c1-12-11-28-20(22-12)25-18-8-4-6-16(24-18)17-7-5-9-26(17)19(27)15-10-21-14(3)23-13(15)2/h4,6,8,10-11,17H,5,7,9H2,1-3H3,(H,22,24,25)/t17-/m1/s1
InChIKeyWMRFHKZPQHTIHA-QGZVFWFLSA-N
MW394.50 g/mol
LogP3.97
Rot. Bonds4

About (2,4-dimethylpyrimidin-5-yl)-[(2R)-2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]methanone

(2,4-dimethylpyrimidin-5-yl)-[(2R)-2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]methanone (PubChem CID 95835423) has the molecular formula C20H22N6OS and a molecular weight of 394.50 g/mol. Its IUPAC name is (2,4-dimethylpyrimidin-5-yl)-[(2R)-2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethylpyrimidin-5-yl)-[(2R)-2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]methanone
PubChem CID95835423
Molecular FormulaC20H22N6OS
Molecular Weight394.50 g/mol
Exact Mass394.16
IUPAC Name(2,4-dimethylpyrimidin-5-yl)-[(2R)-2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]methanone
SMILESCc1csc(Nc2cccc([C@H]3CCCN3C(=O)c3cnc(C)nc3C)n2)n1
InChIInChI=1S/C20H22N6OS/c1-12-11-28-20(22-12)25-18-8-4-6-16(24-18)17-7-5-9-26(17)19(27)15-10-21-14(3)23-13(15)2/h4,6,8,10-11,17H,5,7,9H2,1-3H3,(H,22,24,25)/t17-/m1/s1
InChIKeyWMRFHKZPQHTIHA-QGZVFWFLSA-N
XLogP3.97
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2,4-dimethylpyrimidin-5-yl)-[(2R)-2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

2-hydroxy-1-[(2R)-2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95835387
(5-methyl-1H-indazol-3-yl)-[(2R)-2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 95835838
2-(4-methoxyphenyl)-2-methyl-1-[2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]propan-1-one
CID 110265442
2-[2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanol
CID 110268824
(2,4-dimethylpyrimidin-5-yl)-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 124953053
(2,4-dimethylpyrimidin-5-yl)-[3-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone
CID 110093591
(2,4-dimethyl-1,3-oxazol-5-yl)-[(2R)-2-[6-(1,3,4-thiadiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 95835314
quinolin-8-yl-[(2R)-2-[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 95835272
2-amino-1-[4-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]ethanone
CID 110095864
4-methyl-N-(6-pyrrolidin-2-yl-2-pyridinyl)-1,3-thiazol-2-amine
CID 73439798
2-amino-1-[(2R)-2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95842802
[(2R)-2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-(2-methoxy-3-methylphenyl)methanone
CID 95835638

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylpyrimidin-5-yl)-[(2R)-2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (2,4-dimethylpyrimidin-5-yl)-[(2R)-2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]methanone (CID 95835423) is (2,4-dimethylpyrimidin-5-yl)-[(2R)-2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethylpyrimidin-5-yl)-[(2R)-2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (2,4-dimethylpyrimidin-5-yl)-[(2R)-2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]methanone is Cc1csc(Nc2cccc([C@H]3CCCN3C(=O)c3cnc(C)nc3C)n2)n1.
What is the InChIKey of (2,4-dimethylpyrimidin-5-yl)-[(2R)-2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]methanone?
The InChIKey is WMRFHKZPQHTIHA-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H22N6OS/c1-12-11-28-20(22-12)25-18-8-4-6-16(24-18)17-7-5-9-26(17)19(27)15-10-21-14(3)23-13(15)2/h4,6,8,10-11,17H,5,7,9H2,1-3H3,(H,22,24,25)/t17-/m1/s1.
What are the key properties of (2,4-dimethylpyrimidin-5-yl)-[(2R)-2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]methanone?
(2,4-dimethylpyrimidin-5-yl)-[(2R)-2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]methanone has a molecular weight of 394.50 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylpyrimidin-5-yl)-[(2R)-2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95835423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).