5-fluoro-N-methyl-4-(3-propan-2-ylpyrrolidin-1-yl)pyrimidin-2-amine

C12H19FN4 — CID 113419468

IUPAC5-fluoro-N-methyl-4-(3-propan-2-ylpyrrolidin-1-yl)pyrimidin-2-amine
SMILESCNc1ncc(F)c(N2CCC(C(C)C)C2)n1
InChIInChI=1S/C12H19FN4/c1-8(2)9-4-5-17(7-9)11-10(13)6-15-12(14-3)16-11/h6,8-9H,4-5,7H2,1-3H3,(H,14,15,16)
InChIKeyVTPUKUBFBBDLAJ-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.14
Rot. Bonds3

About 5-fluoro-N-methyl-4-(3-propan-2-ylpyrrolidin-1-yl)pyrimidin-2-amine

5-fluoro-N-methyl-4-(3-propan-2-ylpyrrolidin-1-yl)pyrimidin-2-amine (PubChem CID 113419468) has the molecular formula C12H19FN4 and a molecular weight of 238.31 g/mol. Its IUPAC name is 5-fluoro-N-methyl-4-(3-propan-2-ylpyrrolidin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-methyl-4-(3-propan-2-ylpyrrolidin-1-yl)pyrimidin-2-amine
PubChem CID113419468
Molecular FormulaC12H19FN4
Molecular Weight238.31 g/mol
Exact Mass238.16
IUPAC Name5-fluoro-N-methyl-4-(3-propan-2-ylpyrrolidin-1-yl)pyrimidin-2-amine
SMILESCNc1ncc(F)c(N2CCC(C(C)C)C2)n1
InChIInChI=1S/C12H19FN4/c1-8(2)9-4-5-17(7-9)11-10(13)6-15-12(14-3)16-11/h6,8-9H,4-5,7H2,1-3H3,(H,14,15,16)
InChIKeyVTPUKUBFBBDLAJ-UHFFFAOYSA-N
XLogP2.14
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-fluoro-N-methyl-4-(3-propan-2-ylpyrrolidin-1-yl)pyrimidin-2-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 5-fluoro-N-methyl-4-(3-propan-2-ylpyrrolidin-1-yl)pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-methyl-4-(3-propan-2-ylpyrrolidin-1-yl)pyrimidin-2-amine (CID 113419468) is 5-fluoro-N-methyl-4-(3-propan-2-ylpyrrolidin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-methyl-4-(3-propan-2-ylpyrrolidin-1-yl)pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-methyl-4-(3-propan-2-ylpyrrolidin-1-yl)pyrimidin-2-amine is CNc1ncc(F)c(N2CCC(C(C)C)C2)n1.
What is the InChIKey of 5-fluoro-N-methyl-4-(3-propan-2-ylpyrrolidin-1-yl)pyrimidin-2-amine?
The InChIKey is VTPUKUBFBBDLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN4/c1-8(2)9-4-5-17(7-9)11-10(13)6-15-12(14-3)16-11/h6,8-9H,4-5,7H2,1-3H3,(H,14,15,16).
What are the key properties of 5-fluoro-N-methyl-4-(3-propan-2-ylpyrrolidin-1-yl)pyrimidin-2-amine?
5-fluoro-N-methyl-4-(3-propan-2-ylpyrrolidin-1-yl)pyrimidin-2-amine has a molecular weight of 238.31 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-4-(3-propan-2-ylpyrrolidin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 113419468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).