trans-(1R,2R)-2-[(2R)-1-(5-chloro-2-methoxypyrimidin-4-yl)pyrrolidin-2-yl]cyclohexan-1-ol

C15H22ClN3O2 — CID 129447539

IUPACtrans-(1R,2R)-2-[(2R)-1-(5-chloro-2-methoxypyrimidin-4-yl)pyrrolidin-2-yl]cyclohexan-1-ol
SMILESCOc1ncc(Cl)c(N2CCC[C@@H]2[C@H]2CCCC[C@H]2O)n1
InChIInChI=1S/C15H22ClN3O2/c1-21-15-17-9-11(16)14(18-15)19-8-4-6-12(19)10-5-2-3-7-13(10)20/h9-10,12-13,20H,2-8H2,1H3/t10-,12-,13-/m1/s1
InChIKeyQGNYFLLYCLUIGI-RAIGVLPGSA-N
MW311.81 g/mol
LogP2.66
Rot. Bonds3

About trans-(1R,2R)-2-[(2R)-1-(5-chloro-2-methoxypyrimidin-4-yl)pyrrolidin-2-yl]cyclohexan-1-ol

trans-(1R,2R)-2-[(2R)-1-(5-chloro-2-methoxypyrimidin-4-yl)pyrrolidin-2-yl]cyclohexan-1-ol (PubChem CID 129447539) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is trans-(1R,2R)-2-[(2R)-1-(5-chloro-2-methoxypyrimidin-4-yl)pyrrolidin-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[(2R)-1-(5-chloro-2-methoxypyrimidin-4-yl)pyrrolidin-2-yl]cyclohexan-1-ol
PubChem CID129447539
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Nametrans-(1R,2R)-2-[(2R)-1-(5-chloro-2-methoxypyrimidin-4-yl)pyrrolidin-2-yl]cyclohexan-1-ol
SMILESCOc1ncc(Cl)c(N2CCC[C@@H]2[C@H]2CCCC[C@H]2O)n1
InChIInChI=1S/C15H22ClN3O2/c1-21-15-17-9-11(16)14(18-15)19-8-4-6-12(19)10-5-2-3-7-13(10)20/h9-10,12-13,20H,2-8H2,1H3/t10-,12-,13-/m1/s1
InChIKeyQGNYFLLYCLUIGI-RAIGVLPGSA-N
XLogP2.66
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-4-[2-(3-chloropropyl)pyrrolidin-1-yl]-2-methoxypyrimidine
CID 80752691
1-(5-chloro-2-methoxypyrimidin-4-yl)piperidin-4-ol
CID 80711574
2-(5-chloro-2-methoxypyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102892223
[1-(5-chloro-2-methoxypyrimidin-4-yl)piperidin-4-yl]methanol
CID 80710491
1-(5-chloro-2-methoxypyrimidin-4-yl)-2-methylpyrrolidine-3-carboxylic acid
CID 80758705
4-[2-(bromomethyl)-3-methylpyrrolidin-1-yl]-5-chloro-2-methoxypyrimidine
CID 102786275
1-(5-chloro-2-methoxypyrimidin-4-yl)piperidine-4-carboxylic acid
CID 80758601
5-chloro-2-methoxy-4-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]pyrimidine
CID 97119023
cis-(1S,2R)-2-[(2R)-1-(4-methoxy-6-methylpyrimidin-2-yl)pyrrolidin-2-yl]cyclohexan-1-ol
CID 129491924
1-(5-chloro-2-methoxypyrimidin-4-yl)piperidine-4-carboxamide
CID 133366062
1-(5-chloro-2-methoxypyrimidin-4-yl)-4-methylazepan-4-ol
CID 107407533
4-(5-chloro-2-methoxypyrimidin-4-yl)-1-(cyclopentylmethyl)piperazin-2-one
CID 133390902

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[(2R)-1-(5-chloro-2-methoxypyrimidin-4-yl)pyrrolidin-2-yl]cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[(2R)-1-(5-chloro-2-methoxypyrimidin-4-yl)pyrrolidin-2-yl]cyclohexan-1-ol (CID 129447539) is trans-(1R,2R)-2-[(2R)-1-(5-chloro-2-methoxypyrimidin-4-yl)pyrrolidin-2-yl]cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[(2R)-1-(5-chloro-2-methoxypyrimidin-4-yl)pyrrolidin-2-yl]cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[(2R)-1-(5-chloro-2-methoxypyrimidin-4-yl)pyrrolidin-2-yl]cyclohexan-1-ol is COc1ncc(Cl)c(N2CCC[C@@H]2[C@H]2CCCC[C@H]2O)n1.
What is the InChIKey of trans-(1R,2R)-2-[(2R)-1-(5-chloro-2-methoxypyrimidin-4-yl)pyrrolidin-2-yl]cyclohexan-1-ol?
The InChIKey is QGNYFLLYCLUIGI-RAIGVLPGSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-21-15-17-9-11(16)14(18-15)19-8-4-6-12(19)10-5-2-3-7-13(10)20/h9-10,12-13,20H,2-8H2,1H3/t10-,12-,13-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[(2R)-1-(5-chloro-2-methoxypyrimidin-4-yl)pyrrolidin-2-yl]cyclohexan-1-ol?
trans-(1R,2R)-2-[(2R)-1-(5-chloro-2-methoxypyrimidin-4-yl)pyrrolidin-2-yl]cyclohexan-1-ol has a molecular weight of 311.81 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[(2R)-1-(5-chloro-2-methoxypyrimidin-4-yl)pyrrolidin-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 129447539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).