5-fluoro-2-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine

C11H18FN5 — CID 80791240

IUPAC5-fluoro-2-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine
SMILESCNc1ncc(F)c(NCC2CCN(C)C2)n1
InChIInChI=1S/C11H18FN5/c1-13-11-15-6-9(12)10(16-11)14-5-8-3-4-17(2)7-8/h6,8H,3-5,7H2,1-2H3,(H2,13,14,15,16)
InChIKeyRAKYLXRLXYLYRB-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.02
Rot. Bonds4

About 5-fluoro-2-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine

5-fluoro-2-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 80791240) has the molecular formula C11H18FN5 and a molecular weight of 239.30 g/mol. Its IUPAC name is 5-fluoro-2-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-2-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine
PubChem CID80791240
Molecular FormulaC11H18FN5
Molecular Weight239.30 g/mol
Exact Mass239.15
IUPAC Name5-fluoro-2-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine
SMILESCNc1ncc(F)c(NCC2CCN(C)C2)n1
InChIInChI=1S/C11H18FN5/c1-13-11-15-6-9(12)10(16-11)14-5-8-3-4-17(2)7-8/h6,8H,3-5,7H2,1-2H3,(H2,13,14,15,16)
InChIKeyRAKYLXRLXYLYRB-UHFFFAOYSA-N
XLogP1.02
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-2-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine (CID 80791240) is 5-fluoro-2-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-2-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-2-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine is CNc1ncc(F)c(NCC2CCN(C)C2)n1.
What is the InChIKey of 5-fluoro-2-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is RAKYLXRLXYLYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN5/c1-13-11-15-6-9(12)10(16-11)14-5-8-3-4-17(2)7-8/h6,8H,3-5,7H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 5-fluoro-2-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine?
5-fluoro-2-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 239.30 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80791240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).