N-[2-[2-amino-7-methyl-4-(3-methylphenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-oxoethyl]acetamide

C18H21N5O2 — CID 56718257

IUPACN-[2-[2-amino-7-methyl-4-(3-methylphenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1Cc2c(-c3cccc(C)c3)nc(N)nc2C1C
InChIInChI=1S/C18H21N5O2/c1-10-5-4-6-13(7-10)17-14-9-23(15(25)8-20-12(3)24)11(2)16(14)21-18(19)22-17/h4-7,11H,8-9H2,1-3H3,(H,20,24)(H2,19,21,22)
InChIKeyUFPZTRNKMAGWSY-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.57
Rot. Bonds3

About N-[2-[2-amino-7-methyl-4-(3-methylphenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-oxoethyl]acetamide

N-[2-[2-amino-7-methyl-4-(3-methylphenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-oxoethyl]acetamide (PubChem CID 56718257) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[2-[2-amino-7-methyl-4-(3-methylphenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-amino-7-methyl-4-(3-methylphenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-oxoethyl]acetamide
PubChem CID56718257
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC NameN-[2-[2-amino-7-methyl-4-(3-methylphenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1Cc2c(-c3cccc(C)c3)nc(N)nc2C1C
InChIInChI=1S/C18H21N5O2/c1-10-5-4-6-13(7-10)17-14-9-23(15(25)8-20-12(3)24)11(2)16(14)21-18(19)22-17/h4-7,11H,8-9H2,1-3H3,(H,20,24)(H2,19,21,22)
InChIKeyUFPZTRNKMAGWSY-UHFFFAOYSA-N
XLogP1.57
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

L-375378
CID 154118
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-[6-methyl-3-((R)-1-methyl-2-phenyl-ethylamino)-2-oxo-2H-pyrazin-1-yl]-acetamide
CID 11796404
2-(4,6-Dimethyl-pyrimidin-2-ylamino)-3-p-tolyl-3,5-dihydro-imidazol-4-one
CID 915125
6-amino-9-benzyl-2-(pentylamino)-7H-purin-8-one
CID 9797417
N-[2-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-ethyl]-acetamide
CID 9901760
6-amino-9-benzyl-2-(ethylamino)-7H-purin-8-one
CID 9925829
6-amino-9-benzyl-2-(propylamino)-7H-purin-8-one
CID 9948195
6-amino-9-benzyl-2-(butylamino)-7H-purin-8-one
CID 9948674
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-[6-methyl-3-((S)-1-methyl-2-phenyl-ethylamino)-2-oxo-2H-pyrazin-1-yl]-acetamide
CID 10835917
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-[6-methyl-2-oxo-3-(2-phenyl-propylamino)-2H-pyrazin-1-yl]-acetamide
CID 10884304
Propanamide, 2-[[3-[2-cyano-6-[3-(trifluoromethyl)phenyl]-4-pyrimidinyl]propyl]amino]-2-methyl-
CID 11710873
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-[3-(1,1-dimethyl-2-phenyl-ethylamino)-6-methyl-2-oxo-2H-pyrazin-1-yl]-acetamide
CID 11797101

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-amino-7-methyl-4-(3-methylphenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-oxoethyl]acetamide?
The IUPAC name of N-[2-[2-amino-7-methyl-4-(3-methylphenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-oxoethyl]acetamide (CID 56718257) is N-[2-[2-amino-7-methyl-4-(3-methylphenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for N-[2-[2-amino-7-methyl-4-(3-methylphenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-oxoethyl]acetamide?
The canonical SMILES for N-[2-[2-amino-7-methyl-4-(3-methylphenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-oxoethyl]acetamide is CC(=O)NCC(=O)N1Cc2c(-c3cccc(C)c3)nc(N)nc2C1C.
What is the InChIKey of N-[2-[2-amino-7-methyl-4-(3-methylphenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-oxoethyl]acetamide?
The InChIKey is UFPZTRNKMAGWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-10-5-4-6-13(7-10)17-14-9-23(15(25)8-20-12(3)24)11(2)16(14)21-18(19)22-17/h4-7,11H,8-9H2,1-3H3,(H,20,24)(H2,19,21,22).
What are the key properties of N-[2-[2-amino-7-methyl-4-(3-methylphenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-oxoethyl]acetamide?
N-[2-[2-amino-7-methyl-4-(3-methylphenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-oxoethyl]acetamide has a molecular weight of 339.40 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-amino-7-methyl-4-(3-methylphenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 56718257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).