2-[(3R)-3-fluoropyrrolidin-1-yl]-5-methylpyrimidin-4-amine

C9H13FN4 — CID 174159394

IUPAC2-[(3R)-3-fluoropyrrolidin-1-yl]-5-methylpyrimidin-4-amine
SMILESCc1cnc(N2CC[C@@H](F)C2)nc1N
InChIInChI=1S/C9H13FN4/c1-6-4-12-9(13-8(6)11)14-3-2-7(10)5-14/h4,7H,2-3,5H2,1H3,(H2,11,12,13)/t7-/m1/s1
InChIKeyHYOVZWOJWJAOOY-SSDOTTSWSA-N
MW196.23 g/mol
LogP0.92
Rot. Bonds1

About 2-[(3R)-3-fluoropyrrolidin-1-yl]-5-methylpyrimidin-4-amine

2-[(3R)-3-fluoropyrrolidin-1-yl]-5-methylpyrimidin-4-amine (PubChem CID 174159394) has the molecular formula C9H13FN4 and a molecular weight of 196.23 g/mol. Its IUPAC name is 2-[(3R)-3-fluoropyrrolidin-1-yl]-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3R)-3-fluoropyrrolidin-1-yl]-5-methylpyrimidin-4-amine
PubChem CID174159394
Molecular FormulaC9H13FN4
Molecular Weight196.23 g/mol
Exact Mass196.11
IUPAC Name2-[(3R)-3-fluoropyrrolidin-1-yl]-5-methylpyrimidin-4-amine
SMILESCc1cnc(N2CC[C@@H](F)C2)nc1N
InChIInChI=1S/C9H13FN4/c1-6-4-12-9(13-8(6)11)14-3-2-7(10)5-14/h4,7H,2-3,5H2,1H3,(H2,11,12,13)/t7-/m1/s1
InChIKeyHYOVZWOJWJAOOY-SSDOTTSWSA-N
XLogP0.92
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(3R)-3-fluoropyrrolidin-1-yl]-5-methylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-fluoropyrrolidin-1-yl]-5-methylpyrimidin-4-amine?
The IUPAC name of 2-[(3R)-3-fluoropyrrolidin-1-yl]-5-methylpyrimidin-4-amine (CID 174159394) is 2-[(3R)-3-fluoropyrrolidin-1-yl]-5-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[(3R)-3-fluoropyrrolidin-1-yl]-5-methylpyrimidin-4-amine?
The canonical SMILES for 2-[(3R)-3-fluoropyrrolidin-1-yl]-5-methylpyrimidin-4-amine is Cc1cnc(N2CC[C@@H](F)C2)nc1N.
What is the InChIKey of 2-[(3R)-3-fluoropyrrolidin-1-yl]-5-methylpyrimidin-4-amine?
The InChIKey is HYOVZWOJWJAOOY-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H13FN4/c1-6-4-12-9(13-8(6)11)14-3-2-7(10)5-14/h4,7H,2-3,5H2,1H3,(H2,11,12,13)/t7-/m1/s1.
What are the key properties of 2-[(3R)-3-fluoropyrrolidin-1-yl]-5-methylpyrimidin-4-amine?
2-[(3R)-3-fluoropyrrolidin-1-yl]-5-methylpyrimidin-4-amine has a molecular weight of 196.23 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-fluoropyrrolidin-1-yl]-5-methylpyrimidin-4-amine is sourced from PubChem (CID 174159394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).