4-(4-aminophenoxy)-N-methylpyrimidine-2-carboxamide

C12H12N4O2 — CID 141180643

IUPAC4-(4-aminophenoxy)-N-methylpyrimidine-2-carboxamide
SMILESCNC(=O)c1nccc(Oc2ccc(N)cc2)n1
InChIInChI=1S/C12H12N4O2/c1-14-12(17)11-15-7-6-10(16-11)18-9-4-2-8(13)3-5-9/h2-7H,13H2,1H3,(H,14,17)
InChIKeyCVTLBTZPSZDIIS-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.21
Rot. Bonds3

About 4-(4-aminophenoxy)-N-methylpyrimidine-2-carboxamide

4-(4-aminophenoxy)-N-methylpyrimidine-2-carboxamide (PubChem CID 141180643) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 4-(4-aminophenoxy)-N-methylpyrimidine-2-carboxamide.

Molecular Properties

Compound Name4-(4-aminophenoxy)-N-methylpyrimidine-2-carboxamide
PubChem CID141180643
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name4-(4-aminophenoxy)-N-methylpyrimidine-2-carboxamide
SMILESCNC(=O)c1nccc(Oc2ccc(N)cc2)n1
InChIInChI=1S/C12H12N4O2/c1-14-12(17)11-15-7-6-10(16-11)18-9-4-2-8(13)3-5-9/h2-7H,13H2,1H3,(H,14,17)
InChIKeyCVTLBTZPSZDIIS-UHFFFAOYSA-N
XLogP1.21
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 ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(4-aminophenoxy)-N-methylbenzamide
CID 131636828
N,4-dimethylpyrimidine-2-carboxamide
CID 127011220
4-(4-aminophenoxy)-N-methylpyridine-2-carboxamide;methyl 4-(4-aminophenoxy)pyridine-2-carboxylate
CID 162090161
4-(4-aminophenoxy)-N-methylquinazoline-2-carboxamide
CID 141180641
4-(4-aminophenoxy)pyrimidin-2-amine;1-[4-(2-aminopyrimidin-4-yl)oxyphenyl]-3-phenylurea
CID 160708117
3-[[4-(4-aminophenoxy)pyrimidin-2-yl]amino]propan-1-ol
CID 67524085
2-(4-aminophenoxy)pyridine-4-carboxamide
CID 54909039
4-(4-methoxyphenoxy)pyrimidin-2-amine
CID 80869938
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyrimidine-2-carboxamide;4-methylbenzenesulfonic acid
CID 87074850
1-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrimidin-2-yl]ethanone
CID 176625530
2-[4-(4-amino-3-fluorophenoxy)pyrimidin-2-yl]-2-oxoacetamide
CID 141110312
1-[4-(2-aminopyrimidin-4-yl)oxyphenyl]-3-phenylurea
CID 22936793

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenoxy)-N-methylpyrimidine-2-carboxamide?
The IUPAC name of 4-(4-aminophenoxy)-N-methylpyrimidine-2-carboxamide (CID 141180643) is 4-(4-aminophenoxy)-N-methylpyrimidine-2-carboxamide.
What is the SMILES notation for 4-(4-aminophenoxy)-N-methylpyrimidine-2-carboxamide?
The canonical SMILES for 4-(4-aminophenoxy)-N-methylpyrimidine-2-carboxamide is CNC(=O)c1nccc(Oc2ccc(N)cc2)n1.
What is the InChIKey of 4-(4-aminophenoxy)-N-methylpyrimidine-2-carboxamide?
The InChIKey is CVTLBTZPSZDIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-14-12(17)11-15-7-6-10(16-11)18-9-4-2-8(13)3-5-9/h2-7H,13H2,1H3,(H,14,17).
What are the key properties of 4-(4-aminophenoxy)-N-methylpyrimidine-2-carboxamide?
4-(4-aminophenoxy)-N-methylpyrimidine-2-carboxamide has a molecular weight of 244.25 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenoxy)-N-methylpyrimidine-2-carboxamide is sourced from PubChem (CID 141180643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).