5-fluoro-4-N-(1-methoxypropan-2-yl)-2-N-methylpyrimidine-2,4-diamine

C9H15FN4O — CID 80786489

IUPAC5-fluoro-4-N-(1-methoxypropan-2-yl)-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1ncc(F)c(NC(C)COC)n1
InChIInChI=1S/C9H15FN4O/c1-6(5-15-3)13-8-7(10)4-12-9(11-2)14-8/h4,6H,5H2,1-3H3,(H2,11,12,13,14)
InChIKeyQRCLKVVIQYSHKF-UHFFFAOYSA-N
MW214.24 g/mol
LogP1.10
Rot. Bonds5

About 5-fluoro-4-N-(1-methoxypropan-2-yl)-2-N-methylpyrimidine-2,4-diamine

5-fluoro-4-N-(1-methoxypropan-2-yl)-2-N-methylpyrimidine-2,4-diamine (PubChem CID 80786489) has the molecular formula C9H15FN4O and a molecular weight of 214.24 g/mol. Its IUPAC name is 5-fluoro-4-N-(1-methoxypropan-2-yl)-2-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N-(1-methoxypropan-2-yl)-2-N-methylpyrimidine-2,4-diamine
PubChem CID80786489
Molecular FormulaC9H15FN4O
Molecular Weight214.24 g/mol
Exact Mass214.12
IUPAC Name5-fluoro-4-N-(1-methoxypropan-2-yl)-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1ncc(F)c(NC(C)COC)n1
InChIInChI=1S/C9H15FN4O/c1-6(5-15-3)13-8-7(10)4-12-9(11-2)14-8/h4,6H,5H2,1-3H3,(H2,11,12,13,14)
InChIKeyQRCLKVVIQYSHKF-UHFFFAOYSA-N
XLogP1.10
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-4-N-(1-methoxypropan-2-yl)-2-N-methylpyrimidine-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-4-N-(1-methoxypropan-2-yl)-2-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N-(1-methoxypropan-2-yl)-2-N-methylpyrimidine-2,4-diamine (CID 80786489) is 5-fluoro-4-N-(1-methoxypropan-2-yl)-2-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N-(1-methoxypropan-2-yl)-2-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N-(1-methoxypropan-2-yl)-2-N-methylpyrimidine-2,4-diamine is CNc1ncc(F)c(NC(C)COC)n1.
What is the InChIKey of 5-fluoro-4-N-(1-methoxypropan-2-yl)-2-N-methylpyrimidine-2,4-diamine?
The InChIKey is QRCLKVVIQYSHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN4O/c1-6(5-15-3)13-8-7(10)4-12-9(11-2)14-8/h4,6H,5H2,1-3H3,(H2,11,12,13,14).
What are the key properties of 5-fluoro-4-N-(1-methoxypropan-2-yl)-2-N-methylpyrimidine-2,4-diamine?
5-fluoro-4-N-(1-methoxypropan-2-yl)-2-N-methylpyrimidine-2,4-diamine has a molecular weight of 214.24 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N-(1-methoxypropan-2-yl)-2-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80786489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).