3-amino-4-methoxy-N-pyrimidin-5-ylbenzamide

C12H12N4O2 — CID 107587350

IUPAC3-amino-4-methoxy-N-pyrimidin-5-ylbenzamide
SMILESCOc1ccc(C(=O)Nc2cncnc2)cc1N
InChIInChI=1S/C12H12N4O2/c1-18-11-3-2-8(4-10(11)13)12(17)16-9-5-14-7-15-6-9/h2-7H,13H2,1H3,(H,16,17)
InChIKeyXHVJOAKXJHGJFA-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.32
Rot. Bonds3

About 3-amino-4-methoxy-N-pyrimidin-5-ylbenzamide

3-amino-4-methoxy-N-pyrimidin-5-ylbenzamide (PubChem CID 107587350) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 3-amino-4-methoxy-N-pyrimidin-5-ylbenzamide.

Molecular Properties

Compound Name3-amino-4-methoxy-N-pyrimidin-5-ylbenzamide
PubChem CID107587350
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name3-amino-4-methoxy-N-pyrimidin-5-ylbenzamide
SMILESCOc1ccc(C(=O)Nc2cncnc2)cc1N
InChIInChI=1S/C12H12N4O2/c1-18-11-3-2-8(4-10(11)13)12(17)16-9-5-14-7-15-6-9/h2-7H,13H2,1H3,(H,16,17)
InChIKeyXHVJOAKXJHGJFA-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

3-amino-4-methyl-N-pyrimidin-5-ylbenzamide
CID 107587369
3-amino-N-(4-chloro-3-methoxyphenyl)-4-methoxybenzamide
CID 107620662
3-amino-4-methoxy-N-(3-methoxyphenyl)benzamide
CID 16785828
3-amino-4-methoxy-N-(4-propan-2-yloxyphenyl)benzamide
CID 39423304
4-[(3-amino-4-methoxybenzoyl)amino]benzenesulfonic acid
CID 21406545
N-(3-amino-4-methoxyphenyl)-5-hydroxypyridine-3-carboxamide
CID 63851714
N-(3-amino-4-methoxyphenyl)-4-hydroxybenzamide
CID 43599919
3-amino-N-(4-chloro-3-fluorophenyl)-4-methoxybenzamide
CID 61466446
3-amino-N-(4-bromo-3-chlorophenyl)-4-methoxybenzamide
CID 107618351
3-amino-N-(3-chloro-5-fluorophenyl)-4-methoxybenzamide
CID 107363446
3-amino-N-[3-(dimethylamino)phenyl]-4-methoxybenzamide
CID 115375762
N-(3-amino-4-methoxyphenyl)-4-tert-butylbenzamide
CID 18524942

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-N-pyrimidin-5-ylbenzamide?
The IUPAC name of 3-amino-4-methoxy-N-pyrimidin-5-ylbenzamide (CID 107587350) is 3-amino-4-methoxy-N-pyrimidin-5-ylbenzamide.
What is the SMILES notation for 3-amino-4-methoxy-N-pyrimidin-5-ylbenzamide?
The canonical SMILES for 3-amino-4-methoxy-N-pyrimidin-5-ylbenzamide is COc1ccc(C(=O)Nc2cncnc2)cc1N.
What is the InChIKey of 3-amino-4-methoxy-N-pyrimidin-5-ylbenzamide?
The InChIKey is XHVJOAKXJHGJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-18-11-3-2-8(4-10(11)13)12(17)16-9-5-14-7-15-6-9/h2-7H,13H2,1H3,(H,16,17).
What are the key properties of 3-amino-4-methoxy-N-pyrimidin-5-ylbenzamide?
3-amino-4-methoxy-N-pyrimidin-5-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 3-amino-4-methoxy-N-pyrimidin-5-ylbenzamide is sourced from PubChem (CID 107587350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).