5-[(3-fluoroanilino)methyl]-2-methylpyrimidin-4-amine

C12H13FN4 — CID 155559046

IUPAC5-[(3-fluoroanilino)methyl]-2-methylpyrimidin-4-amine
SMILESCc1ncc(CNc2cccc(F)c2)c(N)n1
InChIInChI=1S/C12H13FN4/c1-8-15-6-9(12(14)17-8)7-16-11-4-2-3-10(13)5-11/h2-6,16H,7H2,1H3,(H2,14,15,17)
InChIKeyOXKXBVUYWXCCGX-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.12
Rot. Bonds3

About 5-[(3-fluoroanilino)methyl]-2-methylpyrimidin-4-amine

5-[(3-fluoroanilino)methyl]-2-methylpyrimidin-4-amine (PubChem CID 155559046) has the molecular formula C12H13FN4 and a molecular weight of 232.26 g/mol. Its IUPAC name is 5-[(3-fluoroanilino)methyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-[(3-fluoroanilino)methyl]-2-methylpyrimidin-4-amine
PubChem CID155559046
Molecular FormulaC12H13FN4
Molecular Weight232.26 g/mol
Exact Mass232.11
IUPAC Name5-[(3-fluoroanilino)methyl]-2-methylpyrimidin-4-amine
SMILESCc1ncc(CNc2cccc(F)c2)c(N)n1
InChIInChI=1S/C12H13FN4/c1-8-15-6-9(12(14)17-8)7-16-11-4-2-3-10(13)5-11/h2-6,16H,7H2,1H3,(H2,14,15,17)
InChIKeyOXKXBVUYWXCCGX-UHFFFAOYSA-N
XLogP2.12
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-[[4-(trifluoromethyl)anilino]methyl]pyrimidin-4-amine
CID 155568861
2-methyl-5-[(4-phenoxyanilino)methyl]pyrimidin-4-amine
CID 139913956
5-(anilinomethyl)pyrimidine-2,4-diamine
CID 516692
2-[(3-fluoroanilino)methyl]pyridin-3-amine
CID 105470902
2-[(3-fluoroanilino)methyl]phenol
CID 27267422
2-[(3-fluoroanilino)methyl]-4-methylphenol
CID 63323256
N-[(2-ethoxyphenyl)methyl]-3-fluoroaniline
CID 23793082
5-[4-(dimethylamino)butyl]-2-N-(3-fluorophenyl)pyrimidine-2,4-diamine
CID 67281260
5-ethyl-2-methylpyrimidin-4-amine
CID 22978191
3-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]aniline
CID 126782089
3-fluoro-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]aniline
CID 126782843
4-N-(3-fluorophenyl)-2-methyl-6-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112871761

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluoroanilino)methyl]-2-methylpyrimidin-4-amine?
The IUPAC name of 5-[(3-fluoroanilino)methyl]-2-methylpyrimidin-4-amine (CID 155559046) is 5-[(3-fluoroanilino)methyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 5-[(3-fluoroanilino)methyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for 5-[(3-fluoroanilino)methyl]-2-methylpyrimidin-4-amine is Cc1ncc(CNc2cccc(F)c2)c(N)n1.
What is the InChIKey of 5-[(3-fluoroanilino)methyl]-2-methylpyrimidin-4-amine?
The InChIKey is OXKXBVUYWXCCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4/c1-8-15-6-9(12(14)17-8)7-16-11-4-2-3-10(13)5-11/h2-6,16H,7H2,1H3,(H2,14,15,17).
What are the key properties of 5-[(3-fluoroanilino)methyl]-2-methylpyrimidin-4-amine?
5-[(3-fluoroanilino)methyl]-2-methylpyrimidin-4-amine has a molecular weight of 232.26 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluoroanilino)methyl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 155559046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).