1-(4-methoxypyrimidin-2-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol

C14H20N6O2 — CID 128977033

IUPAC1-(4-methoxypyrimidin-2-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol
SMILESCOc1ccnc(N2CCC(O)(c3cn(C(C)C)nn3)C2)n1
InChIInChI=1S/C14H20N6O2/c1-10(2)20-8-11(17-18-20)14(21)5-7-19(9-14)13-15-6-4-12(16-13)22-3/h4,6,8,10,21H,5,7,9H2,1-3H3
InChIKeyYHGNFSFJMPIEQS-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.76
Rot. Bonds4

About 1-(4-methoxypyrimidin-2-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol

1-(4-methoxypyrimidin-2-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol (PubChem CID 128977033) has the molecular formula C14H20N6O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-(4-methoxypyrimidin-2-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(4-methoxypyrimidin-2-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol
PubChem CID128977033
Molecular FormulaC14H20N6O2
Molecular Weight304.35 g/mol
Exact Mass304.16
IUPAC Name1-(4-methoxypyrimidin-2-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol
SMILESCOc1ccnc(N2CCC(O)(c3cn(C(C)C)nn3)C2)n1
InChIInChI=1S/C14H20N6O2/c1-10(2)20-8-11(17-18-20)14(21)5-7-19(9-14)13-15-6-4-12(16-13)22-3/h4,6,8,10,21H,5,7,9H2,1-3H3
InChIKeyYHGNFSFJMPIEQS-UHFFFAOYSA-N
XLogP0.76
TPSA89.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 128977041
(3R)-1-[2-(4-methoxyphenyl)ethyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol
CID 129482534
(3R)-1-(1,3-benzoxazol-2-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol
CID 129482521
(3S)-1-(6-ethyl-2-methylpyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol
CID 129482942
1-(2-ethyl-4-pyridinyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 138044865
1-(4-methoxypyrimidin-2-yl)-4-(4-phenylphenyl)piperidin-4-ol
CID 139008893
(3S)-1-(2-phenoxyethyl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol
CID 129482810
1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol
CID 128969626
[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 129483484
(3R)-1-[(2-ethylpyrazol-3-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol
CID 129486181
1-[(2-ethylpyrazol-3-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol
CID 128978796
1-(imidazo[1,2-a]pyridin-5-ylmethyl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol
CID 154756773

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxypyrimidin-2-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol?
The IUPAC name of 1-(4-methoxypyrimidin-2-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol (CID 128977033) is 1-(4-methoxypyrimidin-2-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(4-methoxypyrimidin-2-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol?
The canonical SMILES for 1-(4-methoxypyrimidin-2-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol is COc1ccnc(N2CCC(O)(c3cn(C(C)C)nn3)C2)n1.
What is the InChIKey of 1-(4-methoxypyrimidin-2-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol?
The InChIKey is YHGNFSFJMPIEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O2/c1-10(2)20-8-11(17-18-20)14(21)5-7-19(9-14)13-15-6-4-12(16-13)22-3/h4,6,8,10,21H,5,7,9H2,1-3H3.
What are the key properties of 1-(4-methoxypyrimidin-2-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol?
1-(4-methoxypyrimidin-2-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol has a molecular weight of 304.35 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxypyrimidin-2-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol is sourced from PubChem (CID 128977033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).