5-fluoro-N-(2-phenylcyclopropyl)pyrimidin-2-amine

C13H12FN3 — CID 112703145

IUPAC5-fluoro-N-(2-phenylcyclopropyl)pyrimidin-2-amine
SMILESFc1cnc(NC2CC2c2ccccc2)nc1
InChIInChI=1S/C13H12FN3/c14-10-7-15-13(16-8-10)17-12-6-11(12)9-4-2-1-3-5-9/h1-5,7-8,11-12H,6H2,(H,15,16,17)
InChIKeyNIWJJEXLXURFKO-UHFFFAOYSA-N
MW229.26 g/mol
LogP2.58
Rot. Bonds3

About 5-fluoro-N-(2-phenylcyclopropyl)pyrimidin-2-amine

5-fluoro-N-(2-phenylcyclopropyl)pyrimidin-2-amine (PubChem CID 112703145) has the molecular formula C13H12FN3 and a molecular weight of 229.26 g/mol. Its IUPAC name is 5-fluoro-N-(2-phenylcyclopropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-(2-phenylcyclopropyl)pyrimidin-2-amine
PubChem CID112703145
Molecular FormulaC13H12FN3
Molecular Weight229.26 g/mol
Exact Mass229.10
IUPAC Name5-fluoro-N-(2-phenylcyclopropyl)pyrimidin-2-amine
SMILESFc1cnc(NC2CC2c2ccccc2)nc1
InChIInChI=1S/C13H12FN3/c14-10-7-15-13(16-8-10)17-12-6-11(12)9-4-2-1-3-5-9/h1-5,7-8,11-12H,6H2,(H,15,16,17)
InChIKeyNIWJJEXLXURFKO-UHFFFAOYSA-N
XLogP2.58
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-(2-phenylcyclopropyl)pyrimidin-2-amine
CID 62958917
2-N-ethyl-5-methyl-4-N-(2-phenylcyclopropyl)pyrimidine-2,4-diamine
CID 80813661
3-N-(2-phenylcyclopropyl)pyrazine-2,3-diamine
CID 113228947
trans-(1R,2S)-N-[(4-fluorophenyl)methyl]-2-phenylcyclopropan-1-amine
CID 46869734
5-bromo-2-chloro-N-(2-phenylcyclopropyl)pyrimidin-4-amine
CID 79072485
2-[(2-phenylcyclopropyl)amino]-1,3-thiazole-5-carboxylic acid
CID 80570912
5-methyl-4-N-[(1S,2R)-2-phenylcyclopropyl]pyrimidine-2,4-diamine
CID 164630320
1-methyl-N-(2-phenylcyclopropyl)imidazol-2-amine
CID 62133656
5-N-(2-phenylcyclopropyl)pyridine-3,5-diamine
CID 104533929
4-[(5-fluoropyrimidin-2-yl)amino]oxolan-3-ol
CID 130991603
6-N,5-dimethyl-4-N-(2-phenylcyclopropyl)pyrimidine-4,6-diamine
CID 80814280
6-chloro-N-(2-phenylcyclopropyl)pyridin-2-amine
CID 63586356

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(2-phenylcyclopropyl)pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-(2-phenylcyclopropyl)pyrimidin-2-amine (CID 112703145) is 5-fluoro-N-(2-phenylcyclopropyl)pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-(2-phenylcyclopropyl)pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-(2-phenylcyclopropyl)pyrimidin-2-amine is Fc1cnc(NC2CC2c2ccccc2)nc1.
What is the InChIKey of 5-fluoro-N-(2-phenylcyclopropyl)pyrimidin-2-amine?
The InChIKey is NIWJJEXLXURFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3/c14-10-7-15-13(16-8-10)17-12-6-11(12)9-4-2-1-3-5-9/h1-5,7-8,11-12H,6H2,(H,15,16,17).
What are the key properties of 5-fluoro-N-(2-phenylcyclopropyl)pyrimidin-2-amine?
5-fluoro-N-(2-phenylcyclopropyl)pyrimidin-2-amine has a molecular weight of 229.26 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(2-phenylcyclopropyl)pyrimidin-2-amine is sourced from PubChem (CID 112703145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).