(3S)-1-(6-ethyl-2-methylpyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol

C16H24N6O — CID 129482942

IUPAC(3S)-1-(6-ethyl-2-methylpyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol
SMILESCCc1cc(N2CC[C@@](O)(c3cn(C(C)C)nn3)C2)nc(C)n1
InChIInChI=1S/C16H24N6O/c1-5-13-8-15(18-12(4)17-13)21-7-6-16(23,10-21)14-9-22(11(2)3)20-19-14/h8-9,11,23H,5-7,10H2,1-4H3/t16-/m0/s1
InChIKeyNXJYSLJWFRAAOT-INIZCTEOSA-N
MW316.41 g/mol
LogP1.62
Rot. Bonds4

About (3S)-1-(6-ethyl-2-methylpyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol

(3S)-1-(6-ethyl-2-methylpyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol (PubChem CID 129482942) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is (3S)-1-(6-ethyl-2-methylpyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-(6-ethyl-2-methylpyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol
PubChem CID129482942
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name(3S)-1-(6-ethyl-2-methylpyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol
SMILESCCc1cc(N2CC[C@@](O)(c3cn(C(C)C)nn3)C2)nc(C)n1
InChIInChI=1S/C16H24N6O/c1-5-13-8-15(18-12(4)17-13)21-7-6-16(23,10-21)14-9-22(11(2)3)20-19-14/h8-9,11,23H,5-7,10H2,1-4H3/t16-/m0/s1
InChIKeyNXJYSLJWFRAAOT-INIZCTEOSA-N
XLogP1.62
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol
CID 128969626
6-[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-3-methylpyridine-2-carbonitrile
CID 167783347
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-(2-cyclopropyl-6-methylpyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 128977791
(3R)-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 129483665
1-(6-ethyl-2-methylpyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983097
(3R)-1-(1,3-benzoxazol-2-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol
CID 129482521
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-[(5-chloro-2-fluorophenyl)methyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol
CID 154756770
1-[(2-ethylpyrazol-3-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol
CID 128978796

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(6-ethyl-2-methylpyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol?
The IUPAC name of (3S)-1-(6-ethyl-2-methylpyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol (CID 129482942) is (3S)-1-(6-ethyl-2-methylpyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-(6-ethyl-2-methylpyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-(6-ethyl-2-methylpyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol is CCc1cc(N2CC[C@@](O)(c3cn(C(C)C)nn3)C2)nc(C)n1.
What is the InChIKey of (3S)-1-(6-ethyl-2-methylpyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol?
The InChIKey is NXJYSLJWFRAAOT-INIZCTEOSA-N. The full InChI is InChI=1S/C16H24N6O/c1-5-13-8-15(18-12(4)17-13)21-7-6-16(23,10-21)14-9-22(11(2)3)20-19-14/h8-9,11,23H,5-7,10H2,1-4H3/t16-/m0/s1.
What are the key properties of (3S)-1-(6-ethyl-2-methylpyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol?
(3S)-1-(6-ethyl-2-methylpyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol has a molecular weight of 316.41 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(6-ethyl-2-methylpyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol is sourced from PubChem (CID 129482942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).