5-(3-fluorophenyl)-N-pyrrolidin-3-ylpyrimidin-2-amine

C14H15FN4 — CID 116974721

IUPAC5-(3-fluorophenyl)-N-pyrrolidin-3-ylpyrimidin-2-amine
SMILESFc1cccc(-c2cnc(NC3CCNC3)nc2)c1
InChIInChI=1S/C14H15FN4/c15-12-3-1-2-10(6-12)11-7-17-14(18-8-11)19-13-4-5-16-9-13/h1-3,6-8,13,16H,4-5,9H2,(H,17,18,19)
InChIKeyHEJWCXFGQIDJQZ-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.06
Rot. Bonds3

About 5-(3-fluorophenyl)-N-pyrrolidin-3-ylpyrimidin-2-amine

5-(3-fluorophenyl)-N-pyrrolidin-3-ylpyrimidin-2-amine (PubChem CID 116974721) has the molecular formula C14H15FN4 and a molecular weight of 258.30 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-N-pyrrolidin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(3-fluorophenyl)-N-pyrrolidin-3-ylpyrimidin-2-amine
PubChem CID116974721
Molecular FormulaC14H15FN4
Molecular Weight258.30 g/mol
Exact Mass258.13
IUPAC Name5-(3-fluorophenyl)-N-pyrrolidin-3-ylpyrimidin-2-amine
SMILESFc1cccc(-c2cnc(NC3CCNC3)nc2)c1
InChIInChI=1S/C14H15FN4/c15-12-3-1-2-10(6-12)11-7-17-14(18-8-11)19-13-4-5-16-9-13/h1-3,6-8,13,16H,4-5,9H2,(H,17,18,19)
InChIKeyHEJWCXFGQIDJQZ-UHFFFAOYSA-N
XLogP2.06
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-fluorophenyl)-1-methyl-N-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-6-amine
CID 177142704
8-fluoro-N-[(3R)-pyrrolidin-3-yl]quinazolin-2-amine
CID 148694328
5-bromo-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 63872650
N-[(3R)-pyrrolidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 125498682
N-piperidin-3-yl-5-pyridin-4-ylpyrimidin-2-amine
CID 116974754
5-tert-butyl-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 116974701
5-fluoro-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine
CID 58254860
N-(2,5-difluorophenyl)pyrrolidin-3-amine
CID 79737094
N-(2,4-difluorophenyl)pyrrolidin-3-amine
CID 66545630
N-(azetidin-3-yl)-5-(3,4-dimethylphenyl)pyrimidin-2-amine
CID 116974648
N-cyclopropyl-5-(3-fluorophenyl)-1H-pyrazol-3-amine
CID 63048660
3-fluoro-N-pyrrolidin-3-ylpyridin-2-amine
CID 62732869

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-N-pyrrolidin-3-ylpyrimidin-2-amine?
The IUPAC name of 5-(3-fluorophenyl)-N-pyrrolidin-3-ylpyrimidin-2-amine (CID 116974721) is 5-(3-fluorophenyl)-N-pyrrolidin-3-ylpyrimidin-2-amine.
What is the SMILES notation for 5-(3-fluorophenyl)-N-pyrrolidin-3-ylpyrimidin-2-amine?
The canonical SMILES for 5-(3-fluorophenyl)-N-pyrrolidin-3-ylpyrimidin-2-amine is Fc1cccc(-c2cnc(NC3CCNC3)nc2)c1.
What is the InChIKey of 5-(3-fluorophenyl)-N-pyrrolidin-3-ylpyrimidin-2-amine?
The InChIKey is HEJWCXFGQIDJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4/c15-12-3-1-2-10(6-12)11-7-17-14(18-8-11)19-13-4-5-16-9-13/h1-3,6-8,13,16H,4-5,9H2,(H,17,18,19).
What are the key properties of 5-(3-fluorophenyl)-N-pyrrolidin-3-ylpyrimidin-2-amine?
5-(3-fluorophenyl)-N-pyrrolidin-3-ylpyrimidin-2-amine has a molecular weight of 258.30 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-N-pyrrolidin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 116974721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).