2-[[(1S,2S)-2-aminocyclohexyl]amino]thieno[3,2-d]pyrimidine-7-carboxylic acid

C13H16N4O2S — CID 142770313

IUPAC2-[[(1S,2S)-2-aminocyclohexyl]amino]thieno[3,2-d]pyrimidine-7-carboxylic acid
SMILESN[C@H]1CCCC[C@@H]1Nc1ncc2scc(C(=O)O)c2n1
InChIInChI=1S/C13H16N4O2S/c14-8-3-1-2-4-9(8)16-13-15-5-10-11(17-13)7(6-20-10)12(18)19/h5-6,8-9H,1-4,14H2,(H,18,19)(H,15,16,17)/t8-,9-/m0/s1
InChIKeyABFBXGDPYOLQGK-IUCAKERBSA-N
MW292.36 g/mol
LogP2.07
Rot. Bonds3

About 2-[[(1S,2S)-2-aminocyclohexyl]amino]thieno[3,2-d]pyrimidine-7-carboxylic acid

2-[[(1S,2S)-2-aminocyclohexyl]amino]thieno[3,2-d]pyrimidine-7-carboxylic acid (PubChem CID 142770313) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-[[(1S,2S)-2-aminocyclohexyl]amino]thieno[3,2-d]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name2-[[(1S,2S)-2-aminocyclohexyl]amino]thieno[3,2-d]pyrimidine-7-carboxylic acid
PubChem CID142770313
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name2-[[(1S,2S)-2-aminocyclohexyl]amino]thieno[3,2-d]pyrimidine-7-carboxylic acid
SMILESN[C@H]1CCCC[C@@H]1Nc1ncc2scc(C(=O)O)c2n1
InChIInChI=1S/C13H16N4O2S/c14-8-3-1-2-4-9(8)16-13-15-5-10-11(17-13)7(6-20-10)12(18)19/h5-6,8-9H,1-4,14H2,(H,18,19)(H,15,16,17)/t8-,9-/m0/s1
InChIKeyABFBXGDPYOLQGK-IUCAKERBSA-N
XLogP2.07
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[(1S,2S)-2-aminocyclohexyl]amino]thieno[3,2-d]pyrimidine-7-carboxylic acid with MolForge

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Related Compounds

2-[[(1S,2R)-2-aminocyclohexyl]amino]-N-(5,6-dimethoxy-2-pyridinyl)thieno[3,2-d]pyrimidine-7-carboxamide
CID 66664974
2-[[(1R,2S)-2-aminocyclohexyl]amino]-N-(6-fluoro-1-methylindazol-3-yl)thieno[3,2-d]pyrimidine-7-carboxamide
CID 71626963
ethyl 2-[(2-aminocycloheptyl)amino]-4-methylpyrimidine-5-carboxylate
CID 83180712
2-[[(3R,4R)-3-aminooxan-4-yl]amino]-N-(5,6-dimethyl-2-pyridinyl)thieno[3,2-d]pyrimidine-7-carboxamide
CID 71625969
2-[(2-aminocyclohexyl)amino]-4-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 76549139
4-(3-aminoanilino)-2-[(2-aminocyclohexyl)amino]pyrimidine-5-carboxamide
CID 123987334
2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(4-methoxy-3-methylanilino)pyrimidine-5-carboxamide
CID 59199700
2-[[(1R,2S)-2-aminocyclohexyl]amino]-N-(4-bromothiophen-3-yl)thieno[2,3-b]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid
CID 134263389
[(3R,4R)-4-[[7-(naphthalen-2-ylcarbamoyl)thieno[3,2-d]pyrimidin-2-yl]amino]oxan-3-yl]carbamic acid
CID 126613302
4-methyl-2-[(2-methylcyclopentyl)amino]pyrimidine-5-carboxylic acid
CID 83181541
4-[(2-aminocyclohexyl)amino]-2,3-difluorobenzoic acid
CID 79841267
2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-fluoronaphthalen-2-yl)amino]pyrimidine-5-carboxamide
CID 57472000

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S,2S)-2-aminocyclohexyl]amino]thieno[3,2-d]pyrimidine-7-carboxylic acid?
The IUPAC name of 2-[[(1S,2S)-2-aminocyclohexyl]amino]thieno[3,2-d]pyrimidine-7-carboxylic acid (CID 142770313) is 2-[[(1S,2S)-2-aminocyclohexyl]amino]thieno[3,2-d]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 2-[[(1S,2S)-2-aminocyclohexyl]amino]thieno[3,2-d]pyrimidine-7-carboxylic acid?
The canonical SMILES for 2-[[(1S,2S)-2-aminocyclohexyl]amino]thieno[3,2-d]pyrimidine-7-carboxylic acid is N[C@H]1CCCC[C@@H]1Nc1ncc2scc(C(=O)O)c2n1.
What is the InChIKey of 2-[[(1S,2S)-2-aminocyclohexyl]amino]thieno[3,2-d]pyrimidine-7-carboxylic acid?
The InChIKey is ABFBXGDPYOLQGK-IUCAKERBSA-N. The full InChI is InChI=1S/C13H16N4O2S/c14-8-3-1-2-4-9(8)16-13-15-5-10-11(17-13)7(6-20-10)12(18)19/h5-6,8-9H,1-4,14H2,(H,18,19)(H,15,16,17)/t8-,9-/m0/s1.
What are the key properties of 2-[[(1S,2S)-2-aminocyclohexyl]amino]thieno[3,2-d]pyrimidine-7-carboxylic acid?
2-[[(1S,2S)-2-aminocyclohexyl]amino]thieno[3,2-d]pyrimidine-7-carboxylic acid has a molecular weight of 292.36 g/mol, XLogP of 2.07, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S,2S)-2-aminocyclohexyl]amino]thieno[3,2-d]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 142770313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).