(3R,5R)-1-(6-ethyl-2-methylpyrimidin-4-yl)-5-(3-methoxyphenyl)pyrrolidin-3-ol

C18H23N3O2 — CID 129481983

IUPAC(3R,5R)-1-(6-ethyl-2-methylpyrimidin-4-yl)-5-(3-methoxyphenyl)pyrrolidin-3-ol
SMILESCCc1cc(N2C[C@H](O)C[C@@H]2c2cccc(OC)c2)nc(C)n1
InChIInChI=1S/C18H23N3O2/c1-4-14-9-18(20-12(2)19-14)21-11-15(22)10-17(21)13-6-5-7-16(8-13)23-3/h5-9,15,17,22H,4,10-11H2,1-3H3/t15-,17-/m1/s1
InChIKeyNVDJSHZPDLENNN-NVXWUHKLSA-N
MW313.40 g/mol
LogP2.67
Rot. Bonds4

About (3R,5R)-1-(6-ethyl-2-methylpyrimidin-4-yl)-5-(3-methoxyphenyl)pyrrolidin-3-ol

(3R,5R)-1-(6-ethyl-2-methylpyrimidin-4-yl)-5-(3-methoxyphenyl)pyrrolidin-3-ol (PubChem CID 129481983) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is (3R,5R)-1-(6-ethyl-2-methylpyrimidin-4-yl)-5-(3-methoxyphenyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5R)-1-(6-ethyl-2-methylpyrimidin-4-yl)-5-(3-methoxyphenyl)pyrrolidin-3-ol
PubChem CID129481983
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name(3R,5R)-1-(6-ethyl-2-methylpyrimidin-4-yl)-5-(3-methoxyphenyl)pyrrolidin-3-ol
SMILESCCc1cc(N2C[C@H](O)C[C@@H]2c2cccc(OC)c2)nc(C)n1
InChIInChI=1S/C18H23N3O2/c1-4-14-9-18(20-12(2)19-14)21-11-15(22)10-17(21)13-6-5-7-16(8-13)23-3/h5-9,15,17,22H,4,10-11H2,1-3H3/t15-,17-/m1/s1
InChIKeyNVDJSHZPDLENNN-NVXWUHKLSA-N
XLogP2.67
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,5R)-1-(2-ethyl-6-methylpyrimidin-4-yl)-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 100647139
5-(3-methoxyphenyl)-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-ol
CID 128964251
N-ethyl-6-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 129481990
5-(2,5-difluorophenyl)-1-(6-ethyl-2-methylpyrimidin-4-yl)pyrrolidin-3-ol
CID 133461946
(3R,5R)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 129481272
5-(3-methoxyphenyl)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-ol
CID 128964886
(3S,5R)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 129481177
1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 128964270
(3R,5S)-1-(3-fluoro-2-pyridinyl)-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 129481949
(3S,5R)-5-(3-methoxyphenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-ol
CID 100736947
(3S,5R)-5-(3-methoxyphenyl)-1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-ol
CID 129481109
(2,6-dimethylpyrimidin-4-yl)-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 129346675

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-1-(6-ethyl-2-methylpyrimidin-4-yl)-5-(3-methoxyphenyl)pyrrolidin-3-ol?
The IUPAC name of (3R,5R)-1-(6-ethyl-2-methylpyrimidin-4-yl)-5-(3-methoxyphenyl)pyrrolidin-3-ol (CID 129481983) is (3R,5R)-1-(6-ethyl-2-methylpyrimidin-4-yl)-5-(3-methoxyphenyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,5R)-1-(6-ethyl-2-methylpyrimidin-4-yl)-5-(3-methoxyphenyl)pyrrolidin-3-ol?
The canonical SMILES for (3R,5R)-1-(6-ethyl-2-methylpyrimidin-4-yl)-5-(3-methoxyphenyl)pyrrolidin-3-ol is CCc1cc(N2C[C@H](O)C[C@@H]2c2cccc(OC)c2)nc(C)n1.
What is the InChIKey of (3R,5R)-1-(6-ethyl-2-methylpyrimidin-4-yl)-5-(3-methoxyphenyl)pyrrolidin-3-ol?
The InChIKey is NVDJSHZPDLENNN-NVXWUHKLSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-4-14-9-18(20-12(2)19-14)21-11-15(22)10-17(21)13-6-5-7-16(8-13)23-3/h5-9,15,17,22H,4,10-11H2,1-3H3/t15-,17-/m1/s1.
What are the key properties of (3R,5R)-1-(6-ethyl-2-methylpyrimidin-4-yl)-5-(3-methoxyphenyl)pyrrolidin-3-ol?
(3R,5R)-1-(6-ethyl-2-methylpyrimidin-4-yl)-5-(3-methoxyphenyl)pyrrolidin-3-ol has a molecular weight of 313.40 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-1-(6-ethyl-2-methylpyrimidin-4-yl)-5-(3-methoxyphenyl)pyrrolidin-3-ol is sourced from PubChem (CID 129481983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).