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

C22H26N6OS — CID 110093591

IUPAC(2,4-dimethylpyrimidin-5-yl)-[3-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone
SMILESCc1cc(Nc2nc(C)cs2)cc(C2CCCN(C(=O)c3cnc(C)nc3C)C2)n1
InChIInChI=1S/C22H26N6OS/c1-13-8-18(27-22-25-14(2)12-30-22)9-20(24-13)17-6-5-7-28(11-17)21(29)19-10-23-16(4)26-15(19)3/h8-10,12,17H,5-7,11H2,1-4H3,(H,24,25,27)
InChIKeyKZCBTSXICVUXRU-UHFFFAOYSA-N
MW422.56 g/mol
LogP4.33
Rot. Bonds4

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

(2,4-dimethylpyrimidin-5-yl)-[3-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone (PubChem CID 110093591) has the molecular formula C22H26N6OS and a molecular weight of 422.56 g/mol. Its IUPAC name is (2,4-dimethylpyrimidin-5-yl)-[3-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethylpyrimidin-5-yl)-[3-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone
PubChem CID110093591
Molecular FormulaC22H26N6OS
Molecular Weight422.56 g/mol
Exact Mass422.19
IUPAC Name(2,4-dimethylpyrimidin-5-yl)-[3-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone
SMILESCc1cc(Nc2nc(C)cs2)cc(C2CCCN(C(=O)c3cnc(C)nc3C)C2)n1
InChIInChI=1S/C22H26N6OS/c1-13-8-18(27-22-25-14(2)12-30-22)9-20(24-13)17-6-5-7-28(11-17)21(29)19-10-23-16(4)26-15(19)3/h8-10,12,17H,5-7,11H2,1-4H3,(H,24,25,27)
InChIKeyKZCBTSXICVUXRU-UHFFFAOYSA-N
XLogP4.33
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.56
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-[3-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-N-pyridin-2-ylacetamide
CID 110093582
(2,4-dimethylpyrimidin-5-yl)-[(2R)-2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 95835423
1-[3-[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110095429
2-methyl-1-[3-[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one
CID 110096032
N-[2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-6-methyl-4-pyridinyl]-4-methyl-1,3-thiazol-2-amine
CID 110093576
N-[2-[1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-3-yl]-6-methyl-4-pyridinyl]-4-methyl-1,3-thiazol-2-amine
CID 110093602
[(3S)-3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 95834881
(2-amino-3-pyridinyl)-[(3S)-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidin-1-yl]methanone
CID 124958014
2-methoxy-1-[(3R)-3-[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 124942190
[(3S)-3-[4-(4-fluoroanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 124971967
(2,4-dimethyl-1,3-thiazol-5-yl)-[3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidin-1-yl]methanone
CID 155983028
5-[(3S)-3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 95834921

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylpyrimidin-5-yl)-[3-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone?
The IUPAC name of (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) is (2,4-dimethylpyrimidin-5-yl)-[3-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethylpyrimidin-5-yl)-[3-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone?
The canonical SMILES for (2,4-dimethylpyrimidin-5-yl)-[3-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone is Cc1cc(Nc2nc(C)cs2)cc(C2CCCN(C(=O)c3cnc(C)nc3C)C2)n1.
What is the InChIKey of (2,4-dimethylpyrimidin-5-yl)-[3-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone?
The InChIKey is KZCBTSXICVUXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6OS/c1-13-8-18(27-22-25-14(2)12-30-22)9-20(24-13)17-6-5-7-28(11-17)21(29)19-10-23-16(4)26-15(19)3/h8-10,12,17H,5-7,11H2,1-4H3,(H,24,25,27).
What are the key properties of (2,4-dimethylpyrimidin-5-yl)-[3-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone?
(2,4-dimethylpyrimidin-5-yl)-[3-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone has a molecular weight of 422.56 g/mol, XLogP of 4.33, 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)-[3-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone is sourced from PubChem (CID 110093591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).