8-fluoro-N-[(3R)-pyrrolidin-3-yl]quinazolin-2-amine

C12H13FN4 — CID 148694328

IUPAC8-fluoro-N-[(3R)-pyrrolidin-3-yl]quinazolin-2-amine
SMILESFc1cccc2cnc(N[C@@H]3CCNC3)nc12
InChIInChI=1S/C12H13FN4/c13-10-3-1-2-8-6-15-12(17-11(8)10)16-9-4-5-14-7-9/h1-3,6,9,14H,4-5,7H2,(H,15,16,17)/t9-/m1/s1
InChIKeyNUCICUYPSDYFGT-SECBINFHSA-N
MW232.26 g/mol
LogP1.54
Rot. Bonds2

About 8-fluoro-N-[(3R)-pyrrolidin-3-yl]quinazolin-2-amine

8-fluoro-N-[(3R)-pyrrolidin-3-yl]quinazolin-2-amine (PubChem CID 148694328) has the molecular formula C12H13FN4 and a molecular weight of 232.26 g/mol. Its IUPAC name is 8-fluoro-N-[(3R)-pyrrolidin-3-yl]quinazolin-2-amine.

Molecular Properties

Compound Name8-fluoro-N-[(3R)-pyrrolidin-3-yl]quinazolin-2-amine
PubChem CID148694328
Molecular FormulaC12H13FN4
Molecular Weight232.26 g/mol
Exact Mass232.11
IUPAC Name8-fluoro-N-[(3R)-pyrrolidin-3-yl]quinazolin-2-amine
SMILESFc1cccc2cnc(N[C@@H]3CCNC3)nc12
InChIInChI=1S/C12H13FN4/c13-10-3-1-2-8-6-15-12(17-11(8)10)16-9-4-5-14-7-9/h1-3,6,9,14H,4-5,7H2,(H,15,16,17)/t9-/m1/s1
InChIKeyNUCICUYPSDYFGT-SECBINFHSA-N
XLogP1.54
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-fluorophenyl)-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 116974721
5-ethyl-4-(7-fluoro-2H-indazol-3-yl)-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine
CID 145444200
N-[(3R)-pyrrolidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 125498682
3-fluoro-N-pyrrolidin-3-ylpyridin-2-amine
CID 62732869
5-bromo-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 63872650
5-tert-butyl-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 116974701
5-fluoro-2-N-phenyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine
CID 71014823
5-chloro-4-N-methyl-2-N-pyrrolidin-3-ylpyrimidine-2,4-diamine
CID 175114467
5-fluoro-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine
CID 58254860
3-[8-fluoro-1-[[(3S)-pyrrolidin-3-yl]amino]isoquinolin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136596991
4-N-(3-bromophenyl)-6-N-piperidin-3-ylpyrimido[5,4-d]pyrimidine-4,6-diamine
CID 54440990
6-cyclopropyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 83832274

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-[(3R)-pyrrolidin-3-yl]quinazolin-2-amine?
The IUPAC name of 8-fluoro-N-[(3R)-pyrrolidin-3-yl]quinazolin-2-amine (CID 148694328) is 8-fluoro-N-[(3R)-pyrrolidin-3-yl]quinazolin-2-amine.
What is the SMILES notation for 8-fluoro-N-[(3R)-pyrrolidin-3-yl]quinazolin-2-amine?
The canonical SMILES for 8-fluoro-N-[(3R)-pyrrolidin-3-yl]quinazolin-2-amine is Fc1cccc2cnc(N[C@@H]3CCNC3)nc12.
What is the InChIKey of 8-fluoro-N-[(3R)-pyrrolidin-3-yl]quinazolin-2-amine?
The InChIKey is NUCICUYPSDYFGT-SECBINFHSA-N. The full InChI is InChI=1S/C12H13FN4/c13-10-3-1-2-8-6-15-12(17-11(8)10)16-9-4-5-14-7-9/h1-3,6,9,14H,4-5,7H2,(H,15,16,17)/t9-/m1/s1.
What are the key properties of 8-fluoro-N-[(3R)-pyrrolidin-3-yl]quinazolin-2-amine?
8-fluoro-N-[(3R)-pyrrolidin-3-yl]quinazolin-2-amine has a molecular weight of 232.26 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-[(3R)-pyrrolidin-3-yl]quinazolin-2-amine is sourced from PubChem (CID 148694328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).