(3R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol

C15H21FN6O — CID 129482545

IUPAC(3R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol
SMILESCCc1ncnc(N2CC[C@](O)(c3cn(C(C)C)nn3)C2)c1F
InChIInChI=1S/C15H21FN6O/c1-4-11-13(16)14(18-9-17-11)21-6-5-15(23,8-21)12-7-22(10(2)3)20-19-12/h7,9-10,23H,4-6,8H2,1-3H3/t15-/m1/s1
InChIKeyJNIJTHSNTDALHT-OAHLLOKOSA-N
MW320.37 g/mol
LogP1.45
Rot. Bonds4

About (3R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol

(3R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol (PubChem CID 129482545) has the molecular formula C15H21FN6O and a molecular weight of 320.37 g/mol. Its IUPAC name is (3R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol
PubChem CID129482545
Molecular FormulaC15H21FN6O
Molecular Weight320.37 g/mol
Exact Mass320.18
IUPAC Name(3R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol
SMILESCCc1ncnc(N2CC[C@](O)(c3cn(C(C)C)nn3)C2)c1F
InChIInChI=1S/C15H21FN6O/c1-4-11-13(16)14(18-9-17-11)21-6-5-15(23,8-21)12-7-22(10(2)3)20-19-12/h7,9-10,23H,4-6,8H2,1-3H3/t15-/m1/s1
InChIKeyJNIJTHSNTDALHT-OAHLLOKOSA-N
XLogP1.45
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3S)-1-(6-ethyl-2-methylpyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol
CID 129482942
6-[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 128977041
1-(2-ethyl-4-pyridinyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 138044865
1-(4-methoxypyrimidin-2-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol
CID 128977033
1-ethylsulfonyl-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 128975140
1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol
CID 128969626
1-[(5-chloro-2-fluorophenyl)methyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol
CID 154756770
6-[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-3-methylpyridine-2-carbonitrile
CID 167783347
(3R)-1-(1,3-benzoxazol-2-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol
CID 129482521
(3S)-1-(2-phenoxyethyl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol
CID 129482810
(3S)-1-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol
CID 129485492
2-fluoro-6-[(3S)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]benzonitrile
CID 129482310

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol?
The IUPAC name of (3R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol (CID 129482545) is (3R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol is CCc1ncnc(N2CC[C@](O)(c3cn(C(C)C)nn3)C2)c1F.
What is the InChIKey of (3R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol?
The InChIKey is JNIJTHSNTDALHT-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H21FN6O/c1-4-11-13(16)14(18-9-17-11)21-6-5-15(23,8-21)12-7-22(10(2)3)20-19-12/h7,9-10,23H,4-6,8H2,1-3H3/t15-/m1/s1.
What are the key properties of (3R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol?
(3R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol has a molecular weight of 320.37 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol is sourced from PubChem (CID 129482545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).