2-(methylamino)-1-[(2R)-2-[2-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-1-yl]ethanone

C16H22N6OS — CID 95842847

IUPAC2-(methylamino)-1-[(2R)-2-[2-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-1-yl]ethanone
SMILESCNCC(=O)N1CCCC[C@@H]1c1ccnc(Nc2ncc(C)s2)n1
InChIInChI=1S/C16H22N6OS/c1-11-9-19-16(24-11)21-15-18-7-6-12(20-15)13-5-3-4-8-22(13)14(23)10-17-2/h6-7,9,13,17H,3-5,8,10H2,1-2H3,(H,18,19,20,21)/t13-/m1/s1
InChIKeyNZMGVMSPHOATLC-CYBMUJFWSA-N
MW346.46 g/mol
LogP2.26
Rot. Bonds5

About 2-(methylamino)-1-[(2R)-2-[2-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-1-yl]ethanone

2-(methylamino)-1-[(2R)-2-[2-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-1-yl]ethanone (PubChem CID 95842847) has the molecular formula C16H22N6OS and a molecular weight of 346.46 g/mol. Its IUPAC name is 2-(methylamino)-1-[(2R)-2-[2-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(methylamino)-1-[(2R)-2-[2-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-1-yl]ethanone
PubChem CID95842847
Molecular FormulaC16H22N6OS
Molecular Weight346.46 g/mol
Exact Mass346.16
IUPAC Name2-(methylamino)-1-[(2R)-2-[2-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-1-yl]ethanone
SMILESCNCC(=O)N1CCCC[C@@H]1c1ccnc(Nc2ncc(C)s2)n1
InChIInChI=1S/C16H22N6OS/c1-11-9-19-16(24-11)21-15-18-7-6-12(20-15)13-5-3-4-8-22(13)14(23)10-17-2/h6-7,9,13,17H,3-5,8,10H2,1-2H3,(H,18,19,20,21)/t13-/m1/s1
InChIKeyNZMGVMSPHOATLC-CYBMUJFWSA-N
XLogP2.26
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(2R)-2-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-(methylamino)ethanone
CID 95843219
2-amino-1-[(2R)-2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95842802
1-[2-[2-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 110267168
5-methyl-N-(4-piperidin-2-ylpyrimidin-2-yl)-1,3-thiazol-2-amine;dihydrochloride
CID 171700358
cyclopentyl-[2-[2-(pyridin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 110267387
2-phenoxy-1-[(2R)-2-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 95837637
3-(4-methoxyphenyl)-1-[2-[2-(pyrimidin-5-ylamino)pyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 110267356
2-(4-fluorophenyl)-1-[(2S)-2-[2-(pyrimidin-5-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 95837864
1-[2-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-methoxyethanone
CID 110269315
5-methyl-N-(4-piperidin-3-ylpyrimidin-2-yl)-1,3-thiazol-2-amine
CID 171688131
4,6-dimethyl-1-[3-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-3-oxopropyl]pyrimidin-2-one
CID 110265230
2-(methylamino)-1-[2-[2-methyl-6-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110255904

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-[(2R)-2-[2-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(methylamino)-1-[(2R)-2-[2-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-1-yl]ethanone (CID 95842847) is 2-(methylamino)-1-[(2R)-2-[2-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(methylamino)-1-[(2R)-2-[2-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(methylamino)-1-[(2R)-2-[2-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-1-yl]ethanone is CNCC(=O)N1CCCC[C@@H]1c1ccnc(Nc2ncc(C)s2)n1.
What is the InChIKey of 2-(methylamino)-1-[(2R)-2-[2-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-1-yl]ethanone?
The InChIKey is NZMGVMSPHOATLC-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22N6OS/c1-11-9-19-16(24-11)21-15-18-7-6-12(20-15)13-5-3-4-8-22(13)14(23)10-17-2/h6-7,9,13,17H,3-5,8,10H2,1-2H3,(H,18,19,20,21)/t13-/m1/s1.
What are the key properties of 2-(methylamino)-1-[(2R)-2-[2-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-1-yl]ethanone?
2-(methylamino)-1-[(2R)-2-[2-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-1-yl]ethanone has a molecular weight of 346.46 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-[(2R)-2-[2-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95842847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).