2-N-ethyl-5-fluoro-4-N-methyl-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine

C11H17FN4O — CID 82746007

IUPAC2-N-ethyl-5-fluoro-4-N-methyl-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(F)c(N(C)C2CCOC2)n1
InChIInChI=1S/C11H17FN4O/c1-3-13-11-14-6-9(12)10(15-11)16(2)8-4-5-17-7-8/h6,8H,3-5,7H2,1-2H3,(H,13,14,15)
InChIKeyYXPDAPIDUUFMJX-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.27
Rot. Bonds4

About 2-N-ethyl-5-fluoro-4-N-methyl-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine

2-N-ethyl-5-fluoro-4-N-methyl-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine (PubChem CID 82746007) has the molecular formula C11H17FN4O and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-N-ethyl-5-fluoro-4-N-methyl-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-5-fluoro-4-N-methyl-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine
PubChem CID82746007
Molecular FormulaC11H17FN4O
Molecular Weight240.28 g/mol
Exact Mass240.14
IUPAC Name2-N-ethyl-5-fluoro-4-N-methyl-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(F)c(N(C)C2CCOC2)n1
InChIInChI=1S/C11H17FN4O/c1-3-13-11-14-6-9(12)10(15-11)16(2)8-4-5-17-7-8/h6,8H,3-5,7H2,1-2H3,(H,13,14,15)
InChIKeyYXPDAPIDUUFMJX-UHFFFAOYSA-N
XLogP1.27
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-N-ethyl-5-fluoro-4-N-methyl-4-N-(oxolan-3-yl)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 2-N-ethyl-5-fluoro-4-N-methyl-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-5-fluoro-4-N-methyl-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine (CID 82746007) is 2-N-ethyl-5-fluoro-4-N-methyl-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-5-fluoro-4-N-methyl-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-5-fluoro-4-N-methyl-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine is CCNc1ncc(F)c(N(C)C2CCOC2)n1.
What is the InChIKey of 2-N-ethyl-5-fluoro-4-N-methyl-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine?
The InChIKey is YXPDAPIDUUFMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4O/c1-3-13-11-14-6-9(12)10(15-11)16(2)8-4-5-17-7-8/h6,8H,3-5,7H2,1-2H3,(H,13,14,15).
What are the key properties of 2-N-ethyl-5-fluoro-4-N-methyl-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine?
2-N-ethyl-5-fluoro-4-N-methyl-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine has a molecular weight of 240.28 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-5-fluoro-4-N-methyl-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 82746007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).