4-(4-aminopyrimidin-2-yl)-N-[(5-oxopyrrolidin-2-yl)methyl]-N-propan-2-ylbenzamide

C19H23N5O2 — CID 122572625

IUPAC4-(4-aminopyrimidin-2-yl)-N-[(5-oxopyrrolidin-2-yl)methyl]-N-propan-2-ylbenzamide
SMILESCC(C)N(CC1CCC(=O)N1)C(=O)c1ccc(-c2nccc(N)n2)cc1
InChIInChI=1S/C19H23N5O2/c1-12(2)24(11-15-7-8-17(25)22-15)19(26)14-5-3-13(4-6-14)18-21-10-9-16(20)23-18/h3-6,9-10,12,15H,7-8,11H2,1-2H3,(H,22,25)(H2,20,21,23)
InChIKeyRBRGWZHPXGTNMY-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.86
Rot. Bonds5

About 4-(4-aminopyrimidin-2-yl)-N-[(5-oxopyrrolidin-2-yl)methyl]-N-propan-2-ylbenzamide

4-(4-aminopyrimidin-2-yl)-N-[(5-oxopyrrolidin-2-yl)methyl]-N-propan-2-ylbenzamide (PubChem CID 122572625) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 4-(4-aminopyrimidin-2-yl)-N-[(5-oxopyrrolidin-2-yl)methyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-(4-aminopyrimidin-2-yl)-N-[(5-oxopyrrolidin-2-yl)methyl]-N-propan-2-ylbenzamide
PubChem CID122572625
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name4-(4-aminopyrimidin-2-yl)-N-[(5-oxopyrrolidin-2-yl)methyl]-N-propan-2-ylbenzamide
SMILESCC(C)N(CC1CCC(=O)N1)C(=O)c1ccc(-c2nccc(N)n2)cc1
InChIInChI=1S/C19H23N5O2/c1-12(2)24(11-15-7-8-17(25)22-15)19(26)14-5-3-13(4-6-14)18-21-10-9-16(20)23-18/h3-6,9-10,12,15H,7-8,11H2,1-2H3,(H,22,25)(H2,20,21,23)
InChIKeyRBRGWZHPXGTNMY-UHFFFAOYSA-N
XLogP1.86
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-N-propan-2-yl-3-(1H-pyrazol-4-yl)benzamide
CID 95226268
2-cyclohexyl-N-[(5-oxopyrrolidin-2-yl)methyl]-N-propan-2-yl-1,3-benzoxazole-6-carboxamide
CID 45179366
N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-2-(3-phenylpropyl)-N-propan-2-yl-1,3-benzoxazole-5-carboxamide
CID 42515593
4-(4-aminopyrimidin-2-yl)-N-methyl-N-[(2S)-4-(methylamino)-4-oxobutan-2-yl]benzamide
CID 125436967
1-[(5-oxopyrrolidin-2-yl)methyl]-3-[2-(4-phenylphenyl)ethyl]-1-propan-2-ylurea
CID 138045164
2-[(3-chlorophenyl)methyl]-N-[(5-oxopyrrolidin-2-yl)methyl]-N-propan-2-yl-1,3-benzoxazole-6-carboxamide
CID 45173436
N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-propan-2-yl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetamide
CID 42342365
4-methoxy-N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-N-propan-2-ylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 164635891
3-[4-(3-methylphenyl)phenyl]-1-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-1-propan-2-ylurea
CID 97282523
N-[(5-oxopyrrolidin-2-yl)methyl]-1-(3-phenylpropyl)-N-propan-2-yltriazole-4-carboxamide
CID 45183420
(5S)-5-[[1H-imidazol-2-ylmethyl(propan-2-yl)amino]methyl]pyrrolidin-2-one
CID 95136036
(5S)-5-[[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-propan-2-ylamino]methyl]pyrrolidin-2-one
CID 26401253

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminopyrimidin-2-yl)-N-[(5-oxopyrrolidin-2-yl)methyl]-N-propan-2-ylbenzamide?
The IUPAC name of 4-(4-aminopyrimidin-2-yl)-N-[(5-oxopyrrolidin-2-yl)methyl]-N-propan-2-ylbenzamide (CID 122572625) is 4-(4-aminopyrimidin-2-yl)-N-[(5-oxopyrrolidin-2-yl)methyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-(4-aminopyrimidin-2-yl)-N-[(5-oxopyrrolidin-2-yl)methyl]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-(4-aminopyrimidin-2-yl)-N-[(5-oxopyrrolidin-2-yl)methyl]-N-propan-2-ylbenzamide is CC(C)N(CC1CCC(=O)N1)C(=O)c1ccc(-c2nccc(N)n2)cc1.
What is the InChIKey of 4-(4-aminopyrimidin-2-yl)-N-[(5-oxopyrrolidin-2-yl)methyl]-N-propan-2-ylbenzamide?
The InChIKey is RBRGWZHPXGTNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-12(2)24(11-15-7-8-17(25)22-15)19(26)14-5-3-13(4-6-14)18-21-10-9-16(20)23-18/h3-6,9-10,12,15H,7-8,11H2,1-2H3,(H,22,25)(H2,20,21,23).
What are the key properties of 4-(4-aminopyrimidin-2-yl)-N-[(5-oxopyrrolidin-2-yl)methyl]-N-propan-2-ylbenzamide?
4-(4-aminopyrimidin-2-yl)-N-[(5-oxopyrrolidin-2-yl)methyl]-N-propan-2-ylbenzamide has a molecular weight of 353.43 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminopyrimidin-2-yl)-N-[(5-oxopyrrolidin-2-yl)methyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 122572625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).