2-amino-5-methoxy-N-pyrimidin-2-ylbenzamide

C12H12N4O2 — CID 54878484

IUPAC2-amino-5-methoxy-N-pyrimidin-2-ylbenzamide
SMILESCOc1ccc(N)c(C(=O)Nc2ncccn2)c1
InChIInChI=1S/C12H12N4O2/c1-18-8-3-4-10(13)9(7-8)11(17)16-12-14-5-2-6-15-12/h2-7H,13H2,1H3,(H,14,15,16,17)
InChIKeyVGVRDTLBMBUGJC-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.32
Rot. Bonds3

About 2-amino-5-methoxy-N-pyrimidin-2-ylbenzamide

2-amino-5-methoxy-N-pyrimidin-2-ylbenzamide (PubChem CID 54878484) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-amino-5-methoxy-N-pyrimidin-2-ylbenzamide.

Molecular Properties

Compound Name2-amino-5-methoxy-N-pyrimidin-2-ylbenzamide
PubChem CID54878484
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name2-amino-5-methoxy-N-pyrimidin-2-ylbenzamide
SMILESCOc1ccc(N)c(C(=O)Nc2ncccn2)c1
InChIInChI=1S/C12H12N4O2/c1-18-8-3-4-10(13)9(7-8)11(17)16-12-14-5-2-6-15-12/h2-7H,13H2,1H3,(H,14,15,16,17)
InChIKeyVGVRDTLBMBUGJC-UHFFFAOYSA-N
XLogP1.32
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-methoxy-N-(2-methyl-4-pyridinyl)benzamide
CID 79235180
(2-amino-5-methoxyphenyl)-pyridin-2-ylmethanone
CID 105485471
2-amino-5-methoxy-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 63304829
2-amino-N-(2-carbamoylphenyl)-5-methoxybenzamide
CID 60955502
2-amino-5-methoxy-N-(5-trimethylsilyl-2-pyridinyl)benzamide
CID 89316590
5-[(2-amino-5-methoxybenzoyl)amino]pyridine-2-carboxylic acid
CID 115413708
2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-5-methoxybenzamide
CID 83166414
2-amino-N-(3-bromo-5-methoxyphenyl)-5-methoxybenzamide
CID 82859159
methyl 2-amino-5-methoxybenzoate
CID 13052275
2-amino-5-methoxy-N',N'-dimethylbenzohydrazide
CID 83012633
2-amino-N-(4-iodo-2-methylphenyl)-5-methoxybenzamide
CID 115412666
2-amino-N-(3-hydroxy-4-methoxyphenyl)-5-methoxybenzamide
CID 115412684

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methoxy-N-pyrimidin-2-ylbenzamide?
The IUPAC name of 2-amino-5-methoxy-N-pyrimidin-2-ylbenzamide (CID 54878484) is 2-amino-5-methoxy-N-pyrimidin-2-ylbenzamide.
What is the SMILES notation for 2-amino-5-methoxy-N-pyrimidin-2-ylbenzamide?
The canonical SMILES for 2-amino-5-methoxy-N-pyrimidin-2-ylbenzamide is COc1ccc(N)c(C(=O)Nc2ncccn2)c1.
What is the InChIKey of 2-amino-5-methoxy-N-pyrimidin-2-ylbenzamide?
The InChIKey is VGVRDTLBMBUGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-18-8-3-4-10(13)9(7-8)11(17)16-12-14-5-2-6-15-12/h2-7H,13H2,1H3,(H,14,15,16,17).
What are the key properties of 2-amino-5-methoxy-N-pyrimidin-2-ylbenzamide?
2-amino-5-methoxy-N-pyrimidin-2-ylbenzamide has a molecular weight of 244.25 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methoxy-N-pyrimidin-2-ylbenzamide is sourced from PubChem (CID 54878484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).