5-fluoro-2-N-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine

C11H17FN4O — CID 80813808

IUPAC5-fluoro-2-N-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine
SMILESCNc1ncc(F)c(NCC2CCCOC2)n1
InChIInChI=1S/C11H17FN4O/c1-13-11-15-6-9(12)10(16-11)14-5-8-3-2-4-17-7-8/h6,8H,2-5,7H2,1H3,(H2,13,14,15,16)
InChIKeyPMMLLJTYJBHFSQ-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.50
Rot. Bonds4

About 5-fluoro-2-N-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine

5-fluoro-2-N-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 80813808) has the molecular formula C11H17FN4O and a molecular weight of 240.28 g/mol. Its IUPAC name is 5-fluoro-2-N-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-2-N-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine
PubChem CID80813808
Molecular FormulaC11H17FN4O
Molecular Weight240.28 g/mol
Exact Mass240.14
IUPAC Name5-fluoro-2-N-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine
SMILESCNc1ncc(F)c(NCC2CCCOC2)n1
InChIInChI=1S/C11H17FN4O/c1-13-11-15-6-9(12)10(16-11)14-5-8-3-2-4-17-7-8/h6,8H,2-5,7H2,1H3,(H2,13,14,15,16)
InChIKeyPMMLLJTYJBHFSQ-UHFFFAOYSA-N
XLogP1.50
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-2-N-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine 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-2-N-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-2-N-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine (CID 80813808) is 5-fluoro-2-N-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-2-N-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-2-N-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine is CNc1ncc(F)c(NCC2CCCOC2)n1.
What is the InChIKey of 5-fluoro-2-N-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is PMMLLJTYJBHFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4O/c1-13-11-15-6-9(12)10(16-11)14-5-8-3-2-4-17-7-8/h6,8H,2-5,7H2,1H3,(H2,13,14,15,16).
What are the key properties of 5-fluoro-2-N-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine?
5-fluoro-2-N-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 240.28 g/mol, XLogP of 1.50, 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-(oxan-3-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80813808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).