2-[methyl-[2-(methylamino)cyclohexyl]amino]-4-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidine-5-carboxamide

C17H25N7OS — CID 123319202

IUPAC2-[methyl-[2-(methylamino)cyclohexyl]amino]-4-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidine-5-carboxamide
SMILESCNC1CCCCC1N(C)c1ncc(C(N)=O)c(Nc2cc(C)ns2)n1
InChIInChI=1S/C17H25N7OS/c1-10-8-14(26-23-10)21-16-11(15(18)25)9-20-17(22-16)24(3)13-7-5-4-6-12(13)19-2/h8-9,12-13,19H,4-7H2,1-3H3,(H2,18,25)(H,20,21,22)
InChIKeyDPRCJPRPRDGZQK-UHFFFAOYSA-N
MW375.50 g/mol
LogP2.05
Rot. Bonds6

About 2-[methyl-[2-(methylamino)cyclohexyl]amino]-4-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidine-5-carboxamide

2-[methyl-[2-(methylamino)cyclohexyl]amino]-4-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidine-5-carboxamide (PubChem CID 123319202) has the molecular formula C17H25N7OS and a molecular weight of 375.50 g/mol. Its IUPAC name is 2-[methyl-[2-(methylamino)cyclohexyl]amino]-4-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[methyl-[2-(methylamino)cyclohexyl]amino]-4-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidine-5-carboxamide
PubChem CID123319202
Molecular FormulaC17H25N7OS
Molecular Weight375.50 g/mol
Exact Mass375.18
IUPAC Name2-[methyl-[2-(methylamino)cyclohexyl]amino]-4-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidine-5-carboxamide
SMILESCNC1CCCCC1N(C)c1ncc(C(N)=O)c(Nc2cc(C)ns2)n1
InChIInChI=1S/C17H25N7OS/c1-10-8-14(26-23-10)21-16-11(15(18)25)9-20-17(22-16)24(3)13-7-5-4-6-12(13)19-2/h8-9,12-13,19H,4-7H2,1-3H3,(H2,18,25)(H,20,21,22)
InChIKeyDPRCJPRPRDGZQK-UHFFFAOYSA-N
XLogP2.05
TPSA109.06 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[methyl-[2-(methylamino)cyclohexyl]amino]-4-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidine-5-carboxamide with MolForge

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Related Compounds

US9579320, Example 192
CID 57471982
US9656988, Example 187
CID 118114832
US9656988, Example 348
CID 118114860
US9656988, Example 242
CID 118114866
5-((1R,2R)-2-amino-3,3-difluorocyclohexylamino)-3-(3-methylisothiazol-5-ylamino)pyrazine-2-carboxamide
CID 86685574
5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(4-fluoro-3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide
CID 89572540
5-[[6-[[(1R,2S)-2-aminocyclohexyl]amino]-3-carbamoylpyrazin-2-yl]amino]-N,N-dimethyl-1,2-thiazole-3-carboxamide
CID 71573090
2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(4-chloro-3-methyl-1,2-thiazol-5-yl)amino]pyrimidine-5-carboxamide
CID 71576957
2-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-4-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidine-5-carboxamide
CID 71577869
2-[(1-Amino-1-oxobutan-2-yl)amino]-4-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidine-5-carboxamide
CID 78119074
(R)-5-(1-amino-1-oxobutan-2-ylamino)-3-(3-methylisothiazol-5-ylamino)pyrazine-2-carboxamide
CID 86685618
5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide
CID 89572228

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(methylamino)cyclohexyl]amino]-4-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidine-5-carboxamide?
The IUPAC name of 2-[methyl-[2-(methylamino)cyclohexyl]amino]-4-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidine-5-carboxamide (CID 123319202) is 2-[methyl-[2-(methylamino)cyclohexyl]amino]-4-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[methyl-[2-(methylamino)cyclohexyl]amino]-4-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidine-5-carboxamide?
The canonical SMILES for 2-[methyl-[2-(methylamino)cyclohexyl]amino]-4-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidine-5-carboxamide is CNC1CCCCC1N(C)c1ncc(C(N)=O)c(Nc2cc(C)ns2)n1.
What is the InChIKey of 2-[methyl-[2-(methylamino)cyclohexyl]amino]-4-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidine-5-carboxamide?
The InChIKey is DPRCJPRPRDGZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7OS/c1-10-8-14(26-23-10)21-16-11(15(18)25)9-20-17(22-16)24(3)13-7-5-4-6-12(13)19-2/h8-9,12-13,19H,4-7H2,1-3H3,(H2,18,25)(H,20,21,22).
What are the key properties of 2-[methyl-[2-(methylamino)cyclohexyl]amino]-4-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidine-5-carboxamide?
2-[methyl-[2-(methylamino)cyclohexyl]amino]-4-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidine-5-carboxamide has a molecular weight of 375.50 g/mol, XLogP of 2.05, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(methylamino)cyclohexyl]amino]-4-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 123319202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).