N-[1-amino-3-[(4,6-dimethoxypyrimidin-2-yl)amino]-1-oxopropan-2-yl]benzamide

C16H19N5O4 — CID 2801454

IUPACN-[1-amino-3-[(4,6-dimethoxypyrimidin-2-yl)amino]-1-oxopropan-2-yl]benzamide
SMILESCOc1cc(OC)nc(NCC(NC(=O)c2ccccc2)C(N)=O)n1
InChIInChI=1S/C16H19N5O4/c1-24-12-8-13(25-2)21-16(20-12)18-9-11(14(17)22)19-15(23)10-6-4-3-5-7-10/h3-8,11H,9H2,1-2H3,(H2,17,22)(H,19,23)(H,18,20,21)
InChIKeyINSUBHIYTXATKW-UHFFFAOYSA-N
MW345.36 g/mol
LogP0.19
Rot. Bonds8

About N-[1-amino-3-[(4,6-dimethoxypyrimidin-2-yl)amino]-1-oxopropan-2-yl]benzamide

N-[1-amino-3-[(4,6-dimethoxypyrimidin-2-yl)amino]-1-oxopropan-2-yl]benzamide (PubChem CID 2801454) has the molecular formula C16H19N5O4 and a molecular weight of 345.36 g/mol. Its IUPAC name is N-[1-amino-3-[(4,6-dimethoxypyrimidin-2-yl)amino]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-amino-3-[(4,6-dimethoxypyrimidin-2-yl)amino]-1-oxopropan-2-yl]benzamide
PubChem CID2801454
Molecular FormulaC16H19N5O4
Molecular Weight345.36 g/mol
Exact Mass345.14
IUPAC NameN-[1-amino-3-[(4,6-dimethoxypyrimidin-2-yl)amino]-1-oxopropan-2-yl]benzamide
SMILESCOc1cc(OC)nc(NCC(NC(=O)c2ccccc2)C(N)=O)n1
InChIInChI=1S/C16H19N5O4/c1-24-12-8-13(25-2)21-16(20-12)18-9-11(14(17)22)19-15(23)10-6-4-3-5-7-10/h3-8,11H,9H2,1-2H3,(H2,17,22)(H,19,23)(H,18,20,21)
InChIKeyINSUBHIYTXATKW-UHFFFAOYSA-N
XLogP0.19
TPSA128.46 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[1-amino-3-[(4,6-dimethoxypyrimidin-2-yl)amino]-1-oxopropan-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Orthosulfamuron
CID 11091168
N-(2-aminophenyl)-4-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]benzamide
CID 20786069
N-(2-aminophenyl)-4-[[(6-methoxypyrimidin-4-yl)amino]methyl]benzamide
CID 22478730
N-{[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonothioyl}benzamide
CID 1122207
(3S)-3-[(4,6-dimethoxypyrimidine-2-carbonyl)amino]-3-(2-methylphenyl)propanoic acid
CID 90094051
3-(trans-2-((cyclo-propylmethyl)amino) cyclopropyl)-N-(4-(4,6-dimethoxypyrimidin-2-yl)phenyl)benzamide trifluoroacetate
CID 118304820
3-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylamino]-N,N-dimethylbenzamide
CID 134692036
N-(2,6-Dimethoxy-4-pyrimidinyl)benzamide
CID 3867896
N-(2,6-dimethoxypyrimidin-4-yl)-2-fluorobenzamide
CID 702300
N-(2,6-dimethoxy-4-pyrimidinyl)-4-fluorobenzamide
CID 742738
N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-2,6-difluoro-benzamide
CID 15956667
4-[[(4-methoxypyrimidin-2-yl)amino]methyl]-N-methylbenzamide
CID 33992588

Frequently Asked Questions

What is the IUPAC name of N-[1-amino-3-[(4,6-dimethoxypyrimidin-2-yl)amino]-1-oxopropan-2-yl]benzamide?
The IUPAC name of N-[1-amino-3-[(4,6-dimethoxypyrimidin-2-yl)amino]-1-oxopropan-2-yl]benzamide (CID 2801454) is N-[1-amino-3-[(4,6-dimethoxypyrimidin-2-yl)amino]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for N-[1-amino-3-[(4,6-dimethoxypyrimidin-2-yl)amino]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for N-[1-amino-3-[(4,6-dimethoxypyrimidin-2-yl)amino]-1-oxopropan-2-yl]benzamide is COc1cc(OC)nc(NCC(NC(=O)c2ccccc2)C(N)=O)n1.
What is the InChIKey of N-[1-amino-3-[(4,6-dimethoxypyrimidin-2-yl)amino]-1-oxopropan-2-yl]benzamide?
The InChIKey is INSUBHIYTXATKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O4/c1-24-12-8-13(25-2)21-16(20-12)18-9-11(14(17)22)19-15(23)10-6-4-3-5-7-10/h3-8,11H,9H2,1-2H3,(H2,17,22)(H,19,23)(H,18,20,21).
What are the key properties of N-[1-amino-3-[(4,6-dimethoxypyrimidin-2-yl)amino]-1-oxopropan-2-yl]benzamide?
N-[1-amino-3-[(4,6-dimethoxypyrimidin-2-yl)amino]-1-oxopropan-2-yl]benzamide has a molecular weight of 345.36 g/mol, XLogP of 0.19, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-amino-3-[(4,6-dimethoxypyrimidin-2-yl)amino]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 2801454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).