(3R)-1-[2-[(E)-2-phenylethenyl]pyrimidin-4-yl]pyrrolidin-3-ol

C16H17N3O — CID 42641532

IUPAC(3R)-1-[2-[(E)-2-phenylethenyl]pyrimidin-4-yl]pyrrolidin-3-ol
SMILESO[C@@H]1CCN(c2ccnc(/C=C/c3ccccc3)n2)C1
InChIInChI=1S/C16H17N3O/c20-14-9-11-19(12-14)16-8-10-17-15(18-16)7-6-13-4-2-1-3-5-13/h1-8,10,14,20H,9,11-12H2/b7-6+/t14-/m1/s1
InChIKeyBTZUTNHOTAPZGM-PSKZRQQASA-N
MW267.33 g/mol
LogP2.22
Rot. Bonds3

About (3R)-1-[2-[(E)-2-phenylethenyl]pyrimidin-4-yl]pyrrolidin-3-ol

(3R)-1-[2-[(E)-2-phenylethenyl]pyrimidin-4-yl]pyrrolidin-3-ol (PubChem CID 42641532) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is (3R)-1-[2-[(E)-2-phenylethenyl]pyrimidin-4-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[2-[(E)-2-phenylethenyl]pyrimidin-4-yl]pyrrolidin-3-ol
PubChem CID42641532
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name(3R)-1-[2-[(E)-2-phenylethenyl]pyrimidin-4-yl]pyrrolidin-3-ol
SMILESO[C@@H]1CCN(c2ccnc(/C=C/c3ccccc3)n2)C1
InChIInChI=1S/C16H17N3O/c20-14-9-11-19(12-14)16-8-10-17-15(18-16)7-6-13-4-2-1-3-5-13/h1-8,10,14,20H,9,11-12H2/b7-6+/t14-/m1/s1
InChIKeyBTZUTNHOTAPZGM-PSKZRQQASA-N
XLogP2.22
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(E)-2-phenylethenyl]-4-piperidin-1-ylpyrimidine
CID 42641303
2-[(E)-2-phenylethenyl]-4-(4-phenylpiperazin-1-yl)pyrimidine
CID 42641419
1-[2-[(E)-pent-1-enyl]pyrimidin-4-yl]piperidin-3-ol
CID 56720192
1-[2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]pyrrolidin-3-ol
CID 74234331
1-(4-methyl-2-pyridinyl)pyrrolidin-3-ol
CID 62917147
1-(2-quinolin-3-ylpyrimidin-4-yl)pyrrolidin-3-ol
CID 74243840
1-[2-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 50954135
(3R)-1-[2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol
CID 95128882
1-[2-(3,5-dimethylpyrazolidin-4-yl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 133108076
(3R)-1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidin-3-ol
CID 95137462
(3R)-1-(6-methyl-2-pyridinyl)pyrrolidin-3-ol
CID 103801636
4-methyl-1-(2-methylpyrimidin-4-yl)piperidin-3-ol
CID 103896105

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-[(E)-2-phenylethenyl]pyrimidin-4-yl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[2-[(E)-2-phenylethenyl]pyrimidin-4-yl]pyrrolidin-3-ol (CID 42641532) is (3R)-1-[2-[(E)-2-phenylethenyl]pyrimidin-4-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[2-[(E)-2-phenylethenyl]pyrimidin-4-yl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[2-[(E)-2-phenylethenyl]pyrimidin-4-yl]pyrrolidin-3-ol is O[C@@H]1CCN(c2ccnc(/C=C/c3ccccc3)n2)C1.
What is the InChIKey of (3R)-1-[2-[(E)-2-phenylethenyl]pyrimidin-4-yl]pyrrolidin-3-ol?
The InChIKey is BTZUTNHOTAPZGM-PSKZRQQASA-N. The full InChI is InChI=1S/C16H17N3O/c20-14-9-11-19(12-14)16-8-10-17-15(18-16)7-6-13-4-2-1-3-5-13/h1-8,10,14,20H,9,11-12H2/b7-6+/t14-/m1/s1.
What are the key properties of (3R)-1-[2-[(E)-2-phenylethenyl]pyrimidin-4-yl]pyrrolidin-3-ol?
(3R)-1-[2-[(E)-2-phenylethenyl]pyrimidin-4-yl]pyrrolidin-3-ol has a molecular weight of 267.33 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-[(E)-2-phenylethenyl]pyrimidin-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 42641532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).