[3-[[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]-phenylmethanone

C22H25N5OS — CID 110269486

IUPAC[3-[[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]-phenylmethanone
SMILESCc1nc(CC2CCCN(C(=O)c3ccccc3)C2)cc(Nc2ncc(C)s2)n1
InChIInChI=1S/C22H25N5OS/c1-15-13-23-22(29-15)26-20-12-19(24-16(2)25-20)11-17-7-6-10-27(14-17)21(28)18-8-4-3-5-9-18/h3-5,8-9,12-13,17H,6-7,10-11,14H2,1-2H3,(H,23,24,25,26)
InChIKeyHSCSVBHRQNNVRT-UHFFFAOYSA-N
MW407.54 g/mol
LogP4.39
Rot. Bonds5

About [3-[[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]-phenylmethanone

[3-[[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]-phenylmethanone (PubChem CID 110269486) has the molecular formula C22H25N5OS and a molecular weight of 407.54 g/mol. Its IUPAC name is [3-[[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-[[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]-phenylmethanone
PubChem CID110269486
Molecular FormulaC22H25N5OS
Molecular Weight407.54 g/mol
Exact Mass407.18
IUPAC Name[3-[[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]-phenylmethanone
SMILESCc1nc(CC2CCCN(C(=O)c3ccccc3)C2)cc(Nc2ncc(C)s2)n1
InChIInChI=1S/C22H25N5OS/c1-15-13-23-22(29-15)26-20-12-19(24-16(2)25-20)11-17-7-6-10-27(14-17)21(28)18-8-4-3-5-9-18/h3-5,8-9,12-13,17H,6-7,10-11,14H2,1-2H3,(H,23,24,25,26)
InChIKeyHSCSVBHRQNNVRT-UHFFFAOYSA-N
XLogP4.39
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

N-[6-[(1-benzylpiperidin-3-yl)methyl]-2-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine
CID 175659781
2-chloro-1-[3-[[6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone
CID 175655158
6-[[(3R)-1-benzoylpiperidin-3-yl]methyl]-N,N,2-trimethylpyrimidine-4-carboxamide
CID 124986814
tert-butyl (3R)-3-[[6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]methyl]piperidine-1-carboxylate
CID 95843277
N-[6-[[1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]methyl]-2-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine
CID 175659503
(E)-4-(dimethylamino)-1-[3-[[6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]but-2-en-1-one
CID 132766074
cyclopropyl-[3-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]methyl]piperidin-1-yl]methanone
CID 175658735
5-methyl-N-[2-methyl-6-[[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 95842141
cyclohexyl-[3-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]methyl]piperidin-1-yl]methanone
CID 155985528
1-[(3S)-3-[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 125004494
1-[(3S)-3-[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one
CID 124999407
(2-methylpyrimidin-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
CID 124961648

Frequently Asked Questions

What is the IUPAC name of [3-[[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]-phenylmethanone?
The IUPAC name of [3-[[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]-phenylmethanone (CID 110269486) is [3-[[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [3-[[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [3-[[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]-phenylmethanone is Cc1nc(CC2CCCN(C(=O)c3ccccc3)C2)cc(Nc2ncc(C)s2)n1.
What is the InChIKey of [3-[[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]-phenylmethanone?
The InChIKey is HSCSVBHRQNNVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5OS/c1-15-13-23-22(29-15)26-20-12-19(24-16(2)25-20)11-17-7-6-10-27(14-17)21(28)18-8-4-3-5-9-18/h3-5,8-9,12-13,17H,6-7,10-11,14H2,1-2H3,(H,23,24,25,26).
What are the key properties of [3-[[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]-phenylmethanone?
[3-[[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]-phenylmethanone has a molecular weight of 407.54 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 110269486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).