[(3R)-3-hydroxypyrrolidin-1-yl]-[3-(2-methyl-6-propylpyrimidin-4-yl)phenyl]methanone

C19H23N3O2 — CID 122565117

IUPAC[(3R)-3-hydroxypyrrolidin-1-yl]-[3-(2-methyl-6-propylpyrimidin-4-yl)phenyl]methanone
SMILESCCCc1cc(-c2cccc(C(=O)N3CC[C@@H](O)C3)c2)nc(C)n1
InChIInChI=1S/C19H23N3O2/c1-3-5-16-11-18(21-13(2)20-16)14-6-4-7-15(10-14)19(24)22-9-8-17(23)12-22/h4,6-7,10-11,17,23H,3,5,8-9,12H2,1-2H3/t17-/m1/s1
InChIKeyFFRGNURDLLSCOK-QGZVFWFLSA-N
MW325.41 g/mol
LogP2.61
Rot. Bonds4

About [(3R)-3-hydroxypyrrolidin-1-yl]-[3-(2-methyl-6-propylpyrimidin-4-yl)phenyl]methanone

[(3R)-3-hydroxypyrrolidin-1-yl]-[3-(2-methyl-6-propylpyrimidin-4-yl)phenyl]methanone (PubChem CID 122565117) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is [(3R)-3-hydroxypyrrolidin-1-yl]-[3-(2-methyl-6-propylpyrimidin-4-yl)phenyl]methanone.

Molecular Properties

Compound Name[(3R)-3-hydroxypyrrolidin-1-yl]-[3-(2-methyl-6-propylpyrimidin-4-yl)phenyl]methanone
PubChem CID122565117
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name[(3R)-3-hydroxypyrrolidin-1-yl]-[3-(2-methyl-6-propylpyrimidin-4-yl)phenyl]methanone
SMILESCCCc1cc(-c2cccc(C(=O)N3CC[C@@H](O)C3)c2)nc(C)n1
InChIInChI=1S/C19H23N3O2/c1-3-5-16-11-18(21-13(2)20-16)14-6-4-7-15(10-14)19(24)22-9-8-17(23)12-22/h4,6-7,10-11,17,23H,3,5,8-9,12H2,1-2H3/t17-/m1/s1
InChIKeyFFRGNURDLLSCOK-QGZVFWFLSA-N
XLogP2.61
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3R)-3-hydroxypyrrolidin-1-yl]-[3-(2-methyl-6-propylpyrimidin-4-yl)phenyl]methanone with MolForge

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Related Compounds

[3-[6-(dimethylamino)pyrimidin-4-yl]phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 119063208
(3-hydroxypyrrolidin-1-yl)-[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]methanone
CID 156608184
2H-benzotriazol-5-yl-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79029470
(3-hydroxypiperidin-1-yl)-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone
CID 111439387
(3-fluorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261910
N-[3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]propanamide
CID 111561910
(3-hydroxypiperidin-1-yl)-(3-phenylphenyl)methanone
CID 110868609
[3-[[[4-(aminomethyl)-6-methyl-2-pyridinyl]amino]methyl]phenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone;hydrochloride
CID 158316408
[3-(aminomethyl)pyrrolidin-1-yl]-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone
CID 119486276
[2-(ethylamino)-4-pyridinyl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 62942527
(4-hydroxy-3-methylphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 59238538
[(3R)-3-hydroxypyrrolidin-1-yl]-(3-imidazol-1-ylphenyl)methanone
CID 111561042

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-hydroxypyrrolidin-1-yl]-[3-(2-methyl-6-propylpyrimidin-4-yl)phenyl]methanone?
The IUPAC name of [(3R)-3-hydroxypyrrolidin-1-yl]-[3-(2-methyl-6-propylpyrimidin-4-yl)phenyl]methanone (CID 122565117) is [(3R)-3-hydroxypyrrolidin-1-yl]-[3-(2-methyl-6-propylpyrimidin-4-yl)phenyl]methanone.
What is the SMILES notation for [(3R)-3-hydroxypyrrolidin-1-yl]-[3-(2-methyl-6-propylpyrimidin-4-yl)phenyl]methanone?
The canonical SMILES for [(3R)-3-hydroxypyrrolidin-1-yl]-[3-(2-methyl-6-propylpyrimidin-4-yl)phenyl]methanone is CCCc1cc(-c2cccc(C(=O)N3CC[C@@H](O)C3)c2)nc(C)n1.
What is the InChIKey of [(3R)-3-hydroxypyrrolidin-1-yl]-[3-(2-methyl-6-propylpyrimidin-4-yl)phenyl]methanone?
The InChIKey is FFRGNURDLLSCOK-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-3-5-16-11-18(21-13(2)20-16)14-6-4-7-15(10-14)19(24)22-9-8-17(23)12-22/h4,6-7,10-11,17,23H,3,5,8-9,12H2,1-2H3/t17-/m1/s1.
What are the key properties of [(3R)-3-hydroxypyrrolidin-1-yl]-[3-(2-methyl-6-propylpyrimidin-4-yl)phenyl]methanone?
[(3R)-3-hydroxypyrrolidin-1-yl]-[3-(2-methyl-6-propylpyrimidin-4-yl)phenyl]methanone has a molecular weight of 325.41 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-hydroxypyrrolidin-1-yl]-[3-(2-methyl-6-propylpyrimidin-4-yl)phenyl]methanone is sourced from PubChem (CID 122565117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).