cis-(1S,2R)-2-[(2-amino-6-chloropyrimidin-4-yl)amino]cyclohexan-1-ol

C10H15ClN4O — CID 52840167

IUPACcis-(1S,2R)-2-[(2-amino-6-chloropyrimidin-4-yl)amino]cyclohexan-1-ol
SMILESNc1nc(Cl)cc(N[C@@H]2CCCC[C@@H]2O)n1
InChIInChI=1S/C10H15ClN4O/c11-8-5-9(15-10(12)14-8)13-6-3-1-2-4-7(6)16/h5-7,16H,1-4H2,(H3,12,13,14,15)/t6-,7+/m1/s1
InChIKeyCBPUKEUJXGUPQL-RQJHMYQMSA-N
MW242.71 g/mol
LogP1.43
Rot. Bonds2

About cis-(1S,2R)-2-[(2-amino-6-chloropyrimidin-4-yl)amino]cyclohexan-1-ol

cis-(1S,2R)-2-[(2-amino-6-chloropyrimidin-4-yl)amino]cyclohexan-1-ol (PubChem CID 52840167) has the molecular formula C10H15ClN4O and a molecular weight of 242.71 g/mol. Its IUPAC name is cis-(1S,2R)-2-[(2-amino-6-chloropyrimidin-4-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,2R)-2-[(2-amino-6-chloropyrimidin-4-yl)amino]cyclohexan-1-ol
PubChem CID52840167
Molecular FormulaC10H15ClN4O
Molecular Weight242.71 g/mol
Exact Mass242.09
IUPAC Namecis-(1S,2R)-2-[(2-amino-6-chloropyrimidin-4-yl)amino]cyclohexan-1-ol
SMILESNc1nc(Cl)cc(N[C@@H]2CCCC[C@@H]2O)n1
InChIInChI=1S/C10H15ClN4O/c11-8-5-9(15-10(12)14-8)13-6-3-1-2-4-7(6)16/h5-7,16H,1-4H2,(H3,12,13,14,15)/t6-,7+/m1/s1
InChIKeyCBPUKEUJXGUPQL-RQJHMYQMSA-N
XLogP1.43
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze cis-(1S,2R)-2-[(2-amino-6-chloropyrimidin-4-yl)amino]cyclohexan-1-ol with MolForge

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Related Compounds

2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 80826322
2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]cycloheptan-1-ol
CID 102716139
2-[(5,6-diamino-2-pyridinyl)amino]cyclohexan-1-ol
CID 79827031
2-[3-[(2-amino-6-chloropyrimidin-4-yl)amino]propyl]cyclohexan-1-ol
CID 133384998
6-chloro-4-N-(4,4-dimethylcyclohexyl)pyrimidine-2,4-diamine
CID 79033810
2-[(6-amino-2-ethylpyrimidin-4-yl)amino]cyclohexan-1-ol
CID 80934405
cis-(1R,2S)-2-[(7-chloropyrido[3,4-b]pyrazin-5-yl)amino]cyclohexan-1-ol
CID 166376059
trans-(1S,2S)-2-[(2-chloro-4-pyridinyl)amino]cyclohexan-1-ol
CID 133495254
2-[(2-aminoquinazolin-4-yl)amino]cyclohexan-1-ol
CID 80827366
6-chloro-4-N-[2-(3,4-difluorophenyl)oxolan-3-yl]pyrimidine-2,4-diamine
CID 133435463
6-chloro-4-N-[2-[cyclopentyl(methyl)amino]ethyl]pyrimidine-2,4-diamine
CID 78942098
trans-(1S,2S)-2-(2,5-dichloroanilino)cyclohexan-1-ol
CID 102730840

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[(2-amino-6-chloropyrimidin-4-yl)amino]cyclohexan-1-ol?
The IUPAC name of cis-(1S,2R)-2-[(2-amino-6-chloropyrimidin-4-yl)amino]cyclohexan-1-ol (CID 52840167) is cis-(1S,2R)-2-[(2-amino-6-chloropyrimidin-4-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for cis-(1S,2R)-2-[(2-amino-6-chloropyrimidin-4-yl)amino]cyclohexan-1-ol?
The canonical SMILES for cis-(1S,2R)-2-[(2-amino-6-chloropyrimidin-4-yl)amino]cyclohexan-1-ol is Nc1nc(Cl)cc(N[C@@H]2CCCC[C@@H]2O)n1.
What is the InChIKey of cis-(1S,2R)-2-[(2-amino-6-chloropyrimidin-4-yl)amino]cyclohexan-1-ol?
The InChIKey is CBPUKEUJXGUPQL-RQJHMYQMSA-N. The full InChI is InChI=1S/C10H15ClN4O/c11-8-5-9(15-10(12)14-8)13-6-3-1-2-4-7(6)16/h5-7,16H,1-4H2,(H3,12,13,14,15)/t6-,7+/m1/s1.
What are the key properties of cis-(1S,2R)-2-[(2-amino-6-chloropyrimidin-4-yl)amino]cyclohexan-1-ol?
cis-(1S,2R)-2-[(2-amino-6-chloropyrimidin-4-yl)amino]cyclohexan-1-ol has a molecular weight of 242.71 g/mol, XLogP of 1.43, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[(2-amino-6-chloropyrimidin-4-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 52840167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).