5-fluoro-2-N-(2-phenylethyl)pyrimidine-2,4-diamine

C12H13FN4 — CID 83712714

IUPAC5-fluoro-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
SMILESNc1nc(NCCc2ccccc2)ncc1F
InChIInChI=1S/C12H13FN4/c13-10-8-16-12(17-11(10)14)15-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H3,14,15,16,17)
InChIKeyAGGOYZQDHCUCMQ-UHFFFAOYSA-N
MW232.26 g/mol
LogP1.85
Rot. Bonds4

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

5-fluoro-2-N-(2-phenylethyl)pyrimidine-2,4-diamine (PubChem CID 83712714) has the molecular formula C12H13FN4 and a molecular weight of 232.26 g/mol. Its IUPAC name is 5-fluoro-2-N-(2-phenylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
PubChem CID83712714
Molecular FormulaC12H13FN4
Molecular Weight232.26 g/mol
Exact Mass232.11
IUPAC Name5-fluoro-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
SMILESNc1nc(NCCc2ccccc2)ncc1F
InChIInChI=1S/C12H13FN4/c13-10-8-16-12(17-11(10)14)15-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H3,14,15,16,17)
InChIKeyAGGOYZQDHCUCMQ-UHFFFAOYSA-N
XLogP1.85
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-2-(3-phenylpropoxy)pyrimidin-4-amine
CID 59160610
5-(4-methylphenyl)-2-N-(2-phenylethyl)pyrimidine-2,4,6-triamine
CID 140545114
5-chloro-2-(2-phenylethylamino)pyrimidine-4-carboxylate
CID 2325047
5-fluoro-2-N-prop-2-ynylpyrimidine-2,4-diamine
CID 130593616
9-benzyl-2-N-(2-phenylethyl)purine-2,6-diamine
CID 18332703
5-fluoro-4-N-[2-(4-fluorophenyl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80771057
2-N-(2-phenylethyl)-7H-purin-9-ium-2,6-diamine
CID 123419618
5-fluoro-4-N-[2-(3-fluorophenyl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80774383
5-fluoro-N-(2-phenylethyl)-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidin-2-amine
CID 58603403
3,5,6-trifluoro-N-(2-phenylethyl)pyridin-2-amine
CID 114072372
4,6-dihydrazinyl-N-(2-phenylethyl)pyrimidin-2-amine
CID 139976102
2-hydrazinyl-5-methyl-N-(2-phenylethyl)pyrimidin-4-amine
CID 80944185

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-N-(2-phenylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-2-N-(2-phenylethyl)pyrimidine-2,4-diamine (CID 83712714) is 5-fluoro-2-N-(2-phenylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-2-N-(2-phenylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-2-N-(2-phenylethyl)pyrimidine-2,4-diamine is Nc1nc(NCCc2ccccc2)ncc1F.
What is the InChIKey of 5-fluoro-2-N-(2-phenylethyl)pyrimidine-2,4-diamine?
The InChIKey is AGGOYZQDHCUCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4/c13-10-8-16-12(17-11(10)14)15-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H3,14,15,16,17).
What are the key properties of 5-fluoro-2-N-(2-phenylethyl)pyrimidine-2,4-diamine?
5-fluoro-2-N-(2-phenylethyl)pyrimidine-2,4-diamine has a molecular weight of 232.26 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-N-(2-phenylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 83712714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).