(4-amino-2-methylpyrimidin-5-yl)-[2-(3-methoxyphenyl)-4-methylpyrrolidin-1-yl]methanone

C18H22N4O2 — CID 166210263

IUPAC(4-amino-2-methylpyrimidin-5-yl)-[2-(3-methoxyphenyl)-4-methylpyrrolidin-1-yl]methanone
SMILESCOc1cccc(C2CC(C)CN2C(=O)c2cnc(C)nc2N)c1
InChIInChI=1S/C18H22N4O2/c1-11-7-16(13-5-4-6-14(8-13)24-3)22(10-11)18(23)15-9-20-12(2)21-17(15)19/h4-6,8-9,11,16H,7,10H2,1-3H3,(H2,19,20,21)
InChIKeyJZAWJAHIIMRXED-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.60
Rot. Bonds3

About (4-amino-2-methylpyrimidin-5-yl)-[2-(3-methoxyphenyl)-4-methylpyrrolidin-1-yl]methanone

(4-amino-2-methylpyrimidin-5-yl)-[2-(3-methoxyphenyl)-4-methylpyrrolidin-1-yl]methanone (PubChem CID 166210263) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is (4-amino-2-methylpyrimidin-5-yl)-[2-(3-methoxyphenyl)-4-methylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-2-methylpyrimidin-5-yl)-[2-(3-methoxyphenyl)-4-methylpyrrolidin-1-yl]methanone
PubChem CID166210263
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name(4-amino-2-methylpyrimidin-5-yl)-[2-(3-methoxyphenyl)-4-methylpyrrolidin-1-yl]methanone
SMILESCOc1cccc(C2CC(C)CN2C(=O)c2cnc(C)nc2N)c1
InChIInChI=1S/C18H22N4O2/c1-11-7-16(13-5-4-6-14(8-13)24-3)22(10-11)18(23)15-9-20-12(2)21-17(15)19/h4-6,8-9,11,16H,7,10H2,1-3H3,(H2,19,20,21)
InChIKeyJZAWJAHIIMRXED-UHFFFAOYSA-N
XLogP2.60
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2,6-dimethylpyrimidin-4-yl)-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 129346675
(5S)-4-(2,4-dimethylpyrimidine-5-carbonyl)-1-(3-methoxyphenyl)-5-methylpiperazin-2-one
CID 96571041
(5R)-4-(2,4-dimethylpyrimidine-5-carbonyl)-1-(3-methoxyphenyl)-5-methylpiperazin-2-one
CID 96571042
[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(3,5,6-trimethylpyrazin-2-yl)methanone
CID 129346475
(3-chloro-4-pyridinyl)-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 129350039
(3-fluoro-4-pyridinyl)-[(2R,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 129481464
[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-quinoxalin-5-ylmethanone
CID 129350056
(3-ethyl-6-methylpyridazin-4-yl)-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 129481435
[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 129481472
1-[(2R,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-(5-methoxy-2-pyridinyl)ethanone
CID 129350000
(3-methoxy-2-nitrophenyl)-[(2R,4R)-4-methyl-2-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 99842636
(3-methoxy-2-nitrophenyl)-(4-methyl-2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 119035782

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-methylpyrimidin-5-yl)-[2-(3-methoxyphenyl)-4-methylpyrrolidin-1-yl]methanone?
The IUPAC name of (4-amino-2-methylpyrimidin-5-yl)-[2-(3-methoxyphenyl)-4-methylpyrrolidin-1-yl]methanone (CID 166210263) is (4-amino-2-methylpyrimidin-5-yl)-[2-(3-methoxyphenyl)-4-methylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-amino-2-methylpyrimidin-5-yl)-[2-(3-methoxyphenyl)-4-methylpyrrolidin-1-yl]methanone?
The canonical SMILES for (4-amino-2-methylpyrimidin-5-yl)-[2-(3-methoxyphenyl)-4-methylpyrrolidin-1-yl]methanone is COc1cccc(C2CC(C)CN2C(=O)c2cnc(C)nc2N)c1.
What is the InChIKey of (4-amino-2-methylpyrimidin-5-yl)-[2-(3-methoxyphenyl)-4-methylpyrrolidin-1-yl]methanone?
The InChIKey is JZAWJAHIIMRXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-11-7-16(13-5-4-6-14(8-13)24-3)22(10-11)18(23)15-9-20-12(2)21-17(15)19/h4-6,8-9,11,16H,7,10H2,1-3H3,(H2,19,20,21).
What are the key properties of (4-amino-2-methylpyrimidin-5-yl)-[2-(3-methoxyphenyl)-4-methylpyrrolidin-1-yl]methanone?
(4-amino-2-methylpyrimidin-5-yl)-[2-(3-methoxyphenyl)-4-methylpyrrolidin-1-yl]methanone has a molecular weight of 326.40 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-methylpyrimidin-5-yl)-[2-(3-methoxyphenyl)-4-methylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 166210263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).