N-(2-amino-4-methoxyphenyl)pyrimidine-5-carboxamide

C12H12N4O2 — CID 102921224

IUPACN-(2-amino-4-methoxyphenyl)pyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cncnc2)c(N)c1
InChIInChI=1S/C12H12N4O2/c1-18-9-2-3-11(10(13)4-9)16-12(17)8-5-14-7-15-6-8/h2-7H,13H2,1H3,(H,16,17)
InChIKeyLRLCIWCAQPKMQD-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.32
Rot. Bonds3

About N-(2-amino-4-methoxyphenyl)pyrimidine-5-carboxamide

N-(2-amino-4-methoxyphenyl)pyrimidine-5-carboxamide (PubChem CID 102921224) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is N-(2-amino-4-methoxyphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4-methoxyphenyl)pyrimidine-5-carboxamide
PubChem CID102921224
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC NameN-(2-amino-4-methoxyphenyl)pyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cncnc2)c(N)c1
InChIInChI=1S/C12H12N4O2/c1-18-9-2-3-11(10(13)4-9)16-12(17)8-5-14-7-15-6-8/h2-7H,13H2,1H3,(H,16,17)
InChIKeyLRLCIWCAQPKMQD-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

N-(2-amino-4-methoxyphenyl)pyridine-4-carboxamide
CID 16776915
N-(2-amino-4-methoxyphenyl)-3,4-dichlorobenzamide
CID 16777237
N-(2-amino-4-methoxyphenyl)naphthalene-2-carboxamide
CID 16775616
(2-amino-4-methoxyphenyl)carbamic acid
CID 22317519
(2-amino-4-methoxyphenyl)-pyrimidin-5-ylmethanone
CID 116602325
2-amino-4-methoxy-N-pyrimidin-5-ylbenzamide
CID 107588666
N-[2-amino-4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 102921222
3-amino-4-[(4-methoxybenzoyl)amino]benzoic acid
CID 63117294
N-(2-amino-4-methoxyphenyl)-3-bromo-4-chlorobenzamide
CID 107997479
N-(2-amino-4-methoxyphenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65199378
N-(2-amino-4-methoxyphenyl)-5-chloro-2-methoxybenzamide
CID 29274206
N-(2,4-dimethoxyphenyl)-6-pyrimidin-5-ylpyridine-3-carboxamide
CID 53149802

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methoxyphenyl)pyrimidine-5-carboxamide?
The IUPAC name of N-(2-amino-4-methoxyphenyl)pyrimidine-5-carboxamide (CID 102921224) is N-(2-amino-4-methoxyphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-amino-4-methoxyphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-amino-4-methoxyphenyl)pyrimidine-5-carboxamide is COc1ccc(NC(=O)c2cncnc2)c(N)c1.
What is the InChIKey of N-(2-amino-4-methoxyphenyl)pyrimidine-5-carboxamide?
The InChIKey is LRLCIWCAQPKMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-18-9-2-3-11(10(13)4-9)16-12(17)8-5-14-7-15-6-8/h2-7H,13H2,1H3,(H,16,17).
What are the key properties of N-(2-amino-4-methoxyphenyl)pyrimidine-5-carboxamide?
N-(2-amino-4-methoxyphenyl)pyrimidine-5-carboxamide 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 N-(2-amino-4-methoxyphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 102921224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).