5-fluoro-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine

C13H15FN4O — CID 83736723

IUPAC5-fluoro-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
SMILESCC(C)Oc1ccc(Nc2ncc(F)c(N)n2)cc1
InChIInChI=1S/C13H15FN4O/c1-8(2)19-10-5-3-9(4-6-10)17-13-16-7-11(14)12(15)18-13/h3-8H,1-2H3,(H3,15,16,17,18)
InChIKeyFOCQRNWIAOMRLO-UHFFFAOYSA-N
MW262.29 g/mol
LogP2.73
Rot. Bonds4

About 5-fluoro-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine

5-fluoro-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine (PubChem CID 83736723) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is 5-fluoro-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
PubChem CID83736723
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name5-fluoro-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
SMILESCC(C)Oc1ccc(Nc2ncc(F)c(N)n2)cc1
InChIInChI=1S/C13H15FN4O/c1-8(2)19-10-5-3-9(4-6-10)17-13-16-7-11(14)12(15)18-13/h3-8H,1-2H3,(H3,15,16,17,18)
InChIKeyFOCQRNWIAOMRLO-UHFFFAOYSA-N
XLogP2.73
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(3-aminophenyl)-5-fluoro-2-N-(3-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 22060410
5-fluoro-4-N-(4-propan-2-yloxyphenyl)-2-N-pyrrol-1-ylpyrimidine-2,4-diamine
CID 22060323
2-N,4-N-bis(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112905183
7-(2-fluorophenyl)-N-(4-propan-2-yloxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine
CID 141245796
6-chloro-2-N-(4-propan-2-yloxyphenyl)-1,3,5-triazine-2,4-diamine
CID 80755806
4,6-dimethyl-N-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;hydrochloride
CID 18590620
3-fluoro-1-N-(4-propan-2-yloxyphenyl)benzene-1,2-diamine
CID 60789932
[5-[[5-fluoro-4-(4-propan-2-yloxyanilino)pyrimidin-2-yl]amino]-1-benzofuran-2-yl]-pyrrolidin-1-ylmethanone
CID 22061014
N-(3,4-difluorophenyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109318006
4-[[4-[4-(1-cyanoethoxy)anilino]-5-fluoropyrimidin-2-yl]amino]benzamide
CID 25069699
2,5-dimethyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 80759444
[4-amino-6-(4-propan-2-yloxyanilino)-1,3,5-triazin-2-yl]methanol
CID 175988761

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine (CID 83736723) is 5-fluoro-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine is CC(C)Oc1ccc(Nc2ncc(F)c(N)n2)cc1.
What is the InChIKey of 5-fluoro-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is FOCQRNWIAOMRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c1-8(2)19-10-5-3-9(4-6-10)17-13-16-7-11(14)12(15)18-13/h3-8H,1-2H3,(H3,15,16,17,18).
What are the key properties of 5-fluoro-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine?
5-fluoro-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine has a molecular weight of 262.29 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 83736723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).