N-(2,5-diamino-6-methoxypyrimidin-4-yl)benzamide

C12H13N5O2 — CID 23829139

IUPACN-(2,5-diamino-6-methoxypyrimidin-4-yl)benzamide
SMILESCOc1nc(N)nc(NC(=O)c2ccccc2)c1N
InChIInChI=1S/C12H13N5O2/c1-19-11-8(13)9(16-12(14)17-11)15-10(18)7-5-3-2-4-6-7/h2-6H,13H2,1H3,(H3,14,15,16,17,18)
InChIKeyVHGAGHIAGSYDTJ-UHFFFAOYSA-N
MW259.27 g/mol
LogP0.90
Rot. Bonds3

About N-(2,5-diamino-6-methoxypyrimidin-4-yl)benzamide

N-(2,5-diamino-6-methoxypyrimidin-4-yl)benzamide (PubChem CID 23829139) has the molecular formula C12H13N5O2 and a molecular weight of 259.27 g/mol. Its IUPAC name is N-(2,5-diamino-6-methoxypyrimidin-4-yl)benzamide.

Molecular Properties

Compound NameN-(2,5-diamino-6-methoxypyrimidin-4-yl)benzamide
PubChem CID23829139
Molecular FormulaC12H13N5O2
Molecular Weight259.27 g/mol
Exact Mass259.11
IUPAC NameN-(2,5-diamino-6-methoxypyrimidin-4-yl)benzamide
SMILESCOc1nc(N)nc(NC(=O)c2ccccc2)c1N
InChIInChI=1S/C12H13N5O2/c1-19-11-8(13)9(16-12(14)17-11)15-10(18)7-5-3-2-4-6-7/h2-6H,13H2,1H3,(H3,14,15,16,17,18)
InChIKeyVHGAGHIAGSYDTJ-UHFFFAOYSA-N
XLogP0.90
TPSA116.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxy-1,2,5-oxadiazol-3-yl)benzamide
CID 5048432
N-(4,6-dimethoxypyrimidin-2-yl)benzamide
CID 4270193
N-(3,4-diamino-2-pyridinyl)benzamide
CID 91432821
benzoyl chloride;methyl 3-amino-5,6-dichloropyrazine-2-carboxylate;methyl 3-benzamido-5,6-dichloropyrazine-2-carboxylate
CID 159381872
N-[(3-methoxypyrazin-2-yl)carbamothioyl]benzamide
CID 14460673
N-(4-benzamido-2,5-dimethoxyphenyl)benzamide
CID 1053126
benzamide;1-chloro-4-methoxybenzene;N-(4-methoxyphenyl)benzamide
CID 161282145
N-(2,6-dimethoxypyrimidin-4-yl)benzamide
CID 3867896
N-(5-amino-6-methyl-2-pyridinyl)benzamide
CID 82330924
N-[4-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1246678
N-(4,6-dimethoxy-5-phenylpyrimidin-2-yl)-4-fluorobenzamide
CID 2322521
N-(3-amino-4-methoxyphenyl)benzamide;molecular nitrogen
CID 174994775

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diamino-6-methoxypyrimidin-4-yl)benzamide?
The IUPAC name of N-(2,5-diamino-6-methoxypyrimidin-4-yl)benzamide (CID 23829139) is N-(2,5-diamino-6-methoxypyrimidin-4-yl)benzamide.
What is the SMILES notation for N-(2,5-diamino-6-methoxypyrimidin-4-yl)benzamide?
The canonical SMILES for N-(2,5-diamino-6-methoxypyrimidin-4-yl)benzamide is COc1nc(N)nc(NC(=O)c2ccccc2)c1N.
What is the InChIKey of N-(2,5-diamino-6-methoxypyrimidin-4-yl)benzamide?
The InChIKey is VHGAGHIAGSYDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2/c1-19-11-8(13)9(16-12(14)17-11)15-10(18)7-5-3-2-4-6-7/h2-6H,13H2,1H3,(H3,14,15,16,17,18).
What are the key properties of N-(2,5-diamino-6-methoxypyrimidin-4-yl)benzamide?
N-(2,5-diamino-6-methoxypyrimidin-4-yl)benzamide has a molecular weight of 259.27 g/mol, XLogP of 0.90, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diamino-6-methoxypyrimidin-4-yl)benzamide is sourced from PubChem (CID 23829139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).