[(4R,6R)-4-[(5-amino-6-chloropyrimidin-4-yl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophen-6-yl]methanol

C12H13ClN4OS — CID 101483160

IUPAC[(4R,6R)-4-[(5-amino-6-chloropyrimidin-4-yl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophen-6-yl]methanol
SMILESNc1c(Cl)ncnc1N[C@@H]1C[C@H](CO)c2sccc21
InChIInChI=1S/C12H13ClN4OS/c13-11-9(14)12(16-5-15-11)17-8-3-6(4-18)10-7(8)1-2-19-10/h1-2,5-6,8,18H,3-4,14H2,(H,15,16,17)/t6-,8-/m1/s1
InChIKeyCBDANBJIANHOLF-HTRCEHHLSA-N
MW296.78 g/mol
LogP2.41
Rot. Bonds3

About [(4R,6R)-4-[(5-amino-6-chloropyrimidin-4-yl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophen-6-yl]methanol

[(4R,6R)-4-[(5-amino-6-chloropyrimidin-4-yl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophen-6-yl]methanol (PubChem CID 101483160) has the molecular formula C12H13ClN4OS and a molecular weight of 296.78 g/mol. Its IUPAC name is [(4R,6R)-4-[(5-amino-6-chloropyrimidin-4-yl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophen-6-yl]methanol.

Molecular Properties

Compound Name[(4R,6R)-4-[(5-amino-6-chloropyrimidin-4-yl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophen-6-yl]methanol
PubChem CID101483160
Molecular FormulaC12H13ClN4OS
Molecular Weight296.78 g/mol
Exact Mass296.05
IUPAC Name[(4R,6R)-4-[(5-amino-6-chloropyrimidin-4-yl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophen-6-yl]methanol
SMILESNc1c(Cl)ncnc1N[C@@H]1C[C@H](CO)c2sccc21
InChIInChI=1S/C12H13ClN4OS/c13-11-9(14)12(16-5-15-11)17-8-3-6(4-18)10-7(8)1-2-19-10/h1-2,5-6,8,18H,3-4,14H2,(H,15,16,17)/t6-,8-/m1/s1
InChIKeyCBDANBJIANHOLF-HTRCEHHLSA-N
XLogP2.41
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [(4R,6R)-4-[(5-amino-6-chloropyrimidin-4-yl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophen-6-yl]methanol with MolForge

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Related Compounds

6-chloro-4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidine-4,5-diamine
CID 63024131
4-[(5-amino-6-chloropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentan-1-ol
CID 14104444
[(1R)-3-[(5-amino-6-chloropyrimidin-4-yl)amino]cyclopentyl]methanol;ethane;propane-2,2-diol
CID 144952554
6-chloro-4-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidine-4,5-diamine
CID 103965332
6-chloro-4-N-(4-propylcyclohexyl)pyrimidine-4,5-diamine
CID 55143310
6-chloro-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine
CID 23477636
6-chloro-5-propan-2-yl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidin-4-amine
CID 63728708
(4R,5R,8S,9S,10S)-9-[(5-amino-6-chloropyrimidin-4-yl)amino]-8-(hydroxymethyl)-6-oxaspiro[4.5]decane-4,10-diol
CID 11850593
methyl 3-[(5-amino-6-chloropyrimidin-4-yl)amino]cyclohexane-1-carboxylate
CID 139295528
[1-[(5-amino-6-chloropyrimidin-4-yl)amino]cyclohexyl]methanol
CID 63023085
6-chloro-4-N-(thiophen-3-ylmethyl)pyrimidine-4,5-diamine
CID 63248168
6-chloro-4-N-(2-methyl-2-thiophen-2-ylpropyl)pyrimidine-4,5-diamine
CID 80527084

Frequently Asked Questions

What is the IUPAC name of [(4R,6R)-4-[(5-amino-6-chloropyrimidin-4-yl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophen-6-yl]methanol?
The IUPAC name of [(4R,6R)-4-[(5-amino-6-chloropyrimidin-4-yl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophen-6-yl]methanol (CID 101483160) is [(4R,6R)-4-[(5-amino-6-chloropyrimidin-4-yl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophen-6-yl]methanol.
What is the SMILES notation for [(4R,6R)-4-[(5-amino-6-chloropyrimidin-4-yl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophen-6-yl]methanol?
The canonical SMILES for [(4R,6R)-4-[(5-amino-6-chloropyrimidin-4-yl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophen-6-yl]methanol is Nc1c(Cl)ncnc1N[C@@H]1C[C@H](CO)c2sccc21.
What is the InChIKey of [(4R,6R)-4-[(5-amino-6-chloropyrimidin-4-yl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophen-6-yl]methanol?
The InChIKey is CBDANBJIANHOLF-HTRCEHHLSA-N. The full InChI is InChI=1S/C12H13ClN4OS/c13-11-9(14)12(16-5-15-11)17-8-3-6(4-18)10-7(8)1-2-19-10/h1-2,5-6,8,18H,3-4,14H2,(H,15,16,17)/t6-,8-/m1/s1.
What are the key properties of [(4R,6R)-4-[(5-amino-6-chloropyrimidin-4-yl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophen-6-yl]methanol?
[(4R,6R)-4-[(5-amino-6-chloropyrimidin-4-yl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophen-6-yl]methanol has a molecular weight of 296.78 g/mol, XLogP of 2.41, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,6R)-4-[(5-amino-6-chloropyrimidin-4-yl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophen-6-yl]methanol is sourced from PubChem (CID 101483160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).