cis-(1S,2R)-2-[(2R)-1-(4-methoxy-6-methylpyrimidin-2-yl)pyrrolidin-2-yl]cyclohexan-1-ol

C16H25N3O2 — CID 129491924

IUPACcis-(1S,2R)-2-[(2R)-1-(4-methoxy-6-methylpyrimidin-2-yl)pyrrolidin-2-yl]cyclohexan-1-ol
SMILESCOc1cc(C)nc(N2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)n1
InChIInChI=1S/C16H25N3O2/c1-11-10-15(21-2)18-16(17-11)19-9-5-7-13(19)12-6-3-4-8-14(12)20/h10,12-14,20H,3-9H2,1-2H3/t12-,13-,14+/m1/s1
InChIKeyKUAASHOAMUIWBQ-MCIONIFRSA-N
MW291.39 g/mol
LogP2.31
Rot. Bonds3

About cis-(1S,2R)-2-[(2R)-1-(4-methoxy-6-methylpyrimidin-2-yl)pyrrolidin-2-yl]cyclohexan-1-ol

cis-(1S,2R)-2-[(2R)-1-(4-methoxy-6-methylpyrimidin-2-yl)pyrrolidin-2-yl]cyclohexan-1-ol (PubChem CID 129491924) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is cis-(1S,2R)-2-[(2R)-1-(4-methoxy-6-methylpyrimidin-2-yl)pyrrolidin-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,2R)-2-[(2R)-1-(4-methoxy-6-methylpyrimidin-2-yl)pyrrolidin-2-yl]cyclohexan-1-ol
PubChem CID129491924
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Namecis-(1S,2R)-2-[(2R)-1-(4-methoxy-6-methylpyrimidin-2-yl)pyrrolidin-2-yl]cyclohexan-1-ol
SMILESCOc1cc(C)nc(N2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)n1
InChIInChI=1S/C16H25N3O2/c1-11-10-15(21-2)18-16(17-11)19-9-5-7-13(19)12-6-3-4-8-14(12)20/h10,12-14,20H,3-9H2,1-2H3/t12-,13-,14+/m1/s1
InChIKeyKUAASHOAMUIWBQ-MCIONIFRSA-N
XLogP2.31
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[(2R)-1-(4-methoxy-6-methylpyrimidin-2-yl)pyrrolidin-2-yl]cyclohexan-1-ol?
The IUPAC name of cis-(1S,2R)-2-[(2R)-1-(4-methoxy-6-methylpyrimidin-2-yl)pyrrolidin-2-yl]cyclohexan-1-ol (CID 129491924) is cis-(1S,2R)-2-[(2R)-1-(4-methoxy-6-methylpyrimidin-2-yl)pyrrolidin-2-yl]cyclohexan-1-ol.
What is the SMILES notation for cis-(1S,2R)-2-[(2R)-1-(4-methoxy-6-methylpyrimidin-2-yl)pyrrolidin-2-yl]cyclohexan-1-ol?
The canonical SMILES for cis-(1S,2R)-2-[(2R)-1-(4-methoxy-6-methylpyrimidin-2-yl)pyrrolidin-2-yl]cyclohexan-1-ol is COc1cc(C)nc(N2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)n1.
What is the InChIKey of cis-(1S,2R)-2-[(2R)-1-(4-methoxy-6-methylpyrimidin-2-yl)pyrrolidin-2-yl]cyclohexan-1-ol?
The InChIKey is KUAASHOAMUIWBQ-MCIONIFRSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-11-10-15(21-2)18-16(17-11)19-9-5-7-13(19)12-6-3-4-8-14(12)20/h10,12-14,20H,3-9H2,1-2H3/t12-,13-,14+/m1/s1.
What are the key properties of cis-(1S,2R)-2-[(2R)-1-(4-methoxy-6-methylpyrimidin-2-yl)pyrrolidin-2-yl]cyclohexan-1-ol?
cis-(1S,2R)-2-[(2R)-1-(4-methoxy-6-methylpyrimidin-2-yl)pyrrolidin-2-yl]cyclohexan-1-ol has a molecular weight of 291.39 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[(2R)-1-(4-methoxy-6-methylpyrimidin-2-yl)pyrrolidin-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 129491924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).