4-amino-6-(2-fluoro-5-methylanilino)pyrimidine-5-carbaldehyde

C12H11FN4O — CID 87198767

IUPAC4-amino-6-(2-fluoro-5-methylanilino)pyrimidine-5-carbaldehyde
SMILESCc1ccc(F)c(Nc2ncnc(N)c2C=O)c1
InChIInChI=1S/C12H11FN4O/c1-7-2-3-9(13)10(4-7)17-12-8(5-18)11(14)15-6-16-12/h2-6H,1H3,(H3,14,15,16,17)
InChIKeyWOAWFFBYEQUXRM-UHFFFAOYSA-N
MW246.25 g/mol
LogP2.06
Rot. Bonds3

About 4-amino-6-(2-fluoro-5-methylanilino)pyrimidine-5-carbaldehyde

4-amino-6-(2-fluoro-5-methylanilino)pyrimidine-5-carbaldehyde (PubChem CID 87198767) has the molecular formula C12H11FN4O and a molecular weight of 246.25 g/mol. Its IUPAC name is 4-amino-6-(2-fluoro-5-methylanilino)pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-amino-6-(2-fluoro-5-methylanilino)pyrimidine-5-carbaldehyde
PubChem CID87198767
Molecular FormulaC12H11FN4O
Molecular Weight246.25 g/mol
Exact Mass246.09
IUPAC Name4-amino-6-(2-fluoro-5-methylanilino)pyrimidine-5-carbaldehyde
SMILESCc1ccc(F)c(Nc2ncnc(N)c2C=O)c1
InChIInChI=1S/C12H11FN4O/c1-7-2-3-9(13)10(4-7)17-12-8(5-18)11(14)15-6-16-12/h2-6H,1H3,(H3,14,15,16,17)
InChIKeyWOAWFFBYEQUXRM-UHFFFAOYSA-N
XLogP2.06
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-6-(2-methylanilino)pyrimidine-5-carbaldehyde
CID 123774955
4-amino-6-(2-methylsulfanylanilino)pyrimidine-5-carbaldehyde
CID 87198566
3,5-difluoro-6-N-(2-fluoro-5-methylphenyl)pyridine-2,6-diamine
CID 114073968
4-N-(2-fluoro-5-methylphenyl)pyrimidine-4,6-diamine
CID 80755229
4-chloro-6-(2-methoxy-5-methylanilino)pyrimidine-5-carbaldehyde
CID 66366723
4-N-(2-fluoro-5-methylphenyl)-5-methylpyrimidine-2,4-diamine
CID 80755372
N-(2-fluoro-5-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 9441357
3-N-(2-fluoro-5-methylphenyl)pyridine-2,3-diamine
CID 104539866
4-N-(2,4-dimethylphenyl)-6-N-(2-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19143286
3-bromo-2-N-(2-fluoro-5-methylphenyl)-4-methylpyridine-2,5-diamine
CID 104506356
4-amino-6-[(2-methyl-1,3-benzothiazol-5-yl)amino]pyrimidine-5-carbaldehyde
CID 87198729
4-N-(2-fluoro-5-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80755577

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(2-fluoro-5-methylanilino)pyrimidine-5-carbaldehyde?
The IUPAC name of 4-amino-6-(2-fluoro-5-methylanilino)pyrimidine-5-carbaldehyde (CID 87198767) is 4-amino-6-(2-fluoro-5-methylanilino)pyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-amino-6-(2-fluoro-5-methylanilino)pyrimidine-5-carbaldehyde?
The canonical SMILES for 4-amino-6-(2-fluoro-5-methylanilino)pyrimidine-5-carbaldehyde is Cc1ccc(F)c(Nc2ncnc(N)c2C=O)c1.
What is the InChIKey of 4-amino-6-(2-fluoro-5-methylanilino)pyrimidine-5-carbaldehyde?
The InChIKey is WOAWFFBYEQUXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O/c1-7-2-3-9(13)10(4-7)17-12-8(5-18)11(14)15-6-16-12/h2-6H,1H3,(H3,14,15,16,17).
What are the key properties of 4-amino-6-(2-fluoro-5-methylanilino)pyrimidine-5-carbaldehyde?
4-amino-6-(2-fluoro-5-methylanilino)pyrimidine-5-carbaldehyde has a molecular weight of 246.25 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(2-fluoro-5-methylanilino)pyrimidine-5-carbaldehyde is sourced from PubChem (CID 87198767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).