5-fluoro-4-N-(1-pyridin-3-ylethyl)pyrimidine-2,4-diamine

C11H12FN5 — CID 80778949

IUPAC5-fluoro-4-N-(1-pyridin-3-ylethyl)pyrimidine-2,4-diamine
SMILESCC(Nc1nc(N)ncc1F)c1cccnc1
InChIInChI=1S/C11H12FN5/c1-7(8-3-2-4-14-5-8)16-10-9(12)6-15-11(13)17-10/h2-7H,1H3,(H3,13,15,16,17)
InChIKeyXJDGVCJEHCWLAC-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.77
Rot. Bonds3

About 5-fluoro-4-N-(1-pyridin-3-ylethyl)pyrimidine-2,4-diamine

5-fluoro-4-N-(1-pyridin-3-ylethyl)pyrimidine-2,4-diamine (PubChem CID 80778949) has the molecular formula C11H12FN5 and a molecular weight of 233.25 g/mol. Its IUPAC name is 5-fluoro-4-N-(1-pyridin-3-ylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N-(1-pyridin-3-ylethyl)pyrimidine-2,4-diamine
PubChem CID80778949
Molecular FormulaC11H12FN5
Molecular Weight233.25 g/mol
Exact Mass233.11
IUPAC Name5-fluoro-4-N-(1-pyridin-3-ylethyl)pyrimidine-2,4-diamine
SMILESCC(Nc1nc(N)ncc1F)c1cccnc1
InChIInChI=1S/C11H12FN5/c1-7(8-3-2-4-14-5-8)16-10-9(12)6-15-11(13)17-10/h2-7H,1H3,(H3,13,15,16,17)
InChIKeyXJDGVCJEHCWLAC-UHFFFAOYSA-N
XLogP1.77
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-4-N-[1-(3-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 80801900
5-fluoro-4-N-[1-(furan-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80780792
2-N-(1-pyridin-3-ylethyl)pyrimidine-2,5-diamine
CID 61146602
2-fluoro-N-(1-pyridin-3-ylethyl)aniline
CID 43194891
5-propan-2-yl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine
CID 80779879
5-chloro-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine
CID 114049758
3,4,5-trifluoro-N-(1-pyridin-3-ylethyl)aniline
CID 62810175
5-bromo-2-hydrazinyl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine
CID 80907398
6-fluoro-N-(1-pyridin-3-ylethyl)pyridin-2-amine
CID 61228601
5-methyl-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 80781986
6-chloro-2-N-(1-pyridin-3-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80781008
5-chloro-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 80781987

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N-(1-pyridin-3-ylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N-(1-pyridin-3-ylethyl)pyrimidine-2,4-diamine (CID 80778949) is 5-fluoro-4-N-(1-pyridin-3-ylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N-(1-pyridin-3-ylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N-(1-pyridin-3-ylethyl)pyrimidine-2,4-diamine is CC(Nc1nc(N)ncc1F)c1cccnc1.
What is the InChIKey of 5-fluoro-4-N-(1-pyridin-3-ylethyl)pyrimidine-2,4-diamine?
The InChIKey is XJDGVCJEHCWLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN5/c1-7(8-3-2-4-14-5-8)16-10-9(12)6-15-11(13)17-10/h2-7H,1H3,(H3,13,15,16,17).
What are the key properties of 5-fluoro-4-N-(1-pyridin-3-ylethyl)pyrimidine-2,4-diamine?
5-fluoro-4-N-(1-pyridin-3-ylethyl)pyrimidine-2,4-diamine has a molecular weight of 233.25 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N-(1-pyridin-3-ylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80778949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).