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

C12H19FN4O — CID 80795859

IUPAC2-N-ethyl-5-fluoro-4-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(F)c(N(C)CC2CCCO2)n1
InChIInChI=1S/C12H19FN4O/c1-3-14-12-15-7-10(13)11(16-12)17(2)8-9-5-4-6-18-9/h7,9H,3-6,8H2,1-2H3,(H,14,15,16)
InChIKeyTUICWQRYIWNBGZ-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.66
Rot. Bonds5

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

2-N-ethyl-5-fluoro-4-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 80795859) has the molecular formula C12H19FN4O and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-N-ethyl-5-fluoro-4-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-5-fluoro-4-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
PubChem CID80795859
Molecular FormulaC12H19FN4O
Molecular Weight254.31 g/mol
Exact Mass254.15
IUPAC Name2-N-ethyl-5-fluoro-4-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(F)c(N(C)CC2CCCO2)n1
InChIInChI=1S/C12H19FN4O/c1-3-14-12-15-7-10(13)11(16-12)17(2)8-9-5-4-6-18-9/h7,9H,3-6,8H2,1-2H3,(H,14,15,16)
InChIKeyTUICWQRYIWNBGZ-UHFFFAOYSA-N
XLogP1.66
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-N-ethyl-5-fluoro-4-N-methyl-4-N-(oxolan-2-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 2-N-ethyl-5-fluoro-4-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-5-fluoro-4-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine (CID 80795859) is 2-N-ethyl-5-fluoro-4-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-5-fluoro-4-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-5-fluoro-4-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine is CCNc1ncc(F)c(N(C)CC2CCCO2)n1.
What is the InChIKey of 2-N-ethyl-5-fluoro-4-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is TUICWQRYIWNBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN4O/c1-3-14-12-15-7-10(13)11(16-12)17(2)8-9-5-4-6-18-9/h7,9H,3-6,8H2,1-2H3,(H,14,15,16).
What are the key properties of 2-N-ethyl-5-fluoro-4-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine?
2-N-ethyl-5-fluoro-4-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 254.31 g/mol, XLogP of 1.66, 5 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-2-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80795859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).