1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-3-methoxypropan-2-ol

C10H16FN3O2 — CID 103867520

IUPAC1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-3-methoxypropan-2-ol
SMILESCCc1ncnc(NCC(O)COC)c1F
InChIInChI=1S/C10H16FN3O2/c1-3-8-9(11)10(14-6-13-8)12-4-7(15)5-16-2/h6-7,15H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyJGMMTFCYXLWFOE-UHFFFAOYSA-N
MW229.25 g/mol
LogP0.60
Rot. Bonds6

About 1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-3-methoxypropan-2-ol

1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-3-methoxypropan-2-ol (PubChem CID 103867520) has the molecular formula C10H16FN3O2 and a molecular weight of 229.25 g/mol. Its IUPAC name is 1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-3-methoxypropan-2-ol
PubChem CID103867520
Molecular FormulaC10H16FN3O2
Molecular Weight229.25 g/mol
Exact Mass229.12
IUPAC Name1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-3-methoxypropan-2-ol
SMILESCCc1ncnc(NCC(O)COC)c1F
InChIInChI=1S/C10H16FN3O2/c1-3-8-9(11)10(14-6-13-8)12-4-7(15)5-16-2/h6-7,15H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyJGMMTFCYXLWFOE-UHFFFAOYSA-N
XLogP0.60
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-3-methoxypropan-2-ol 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 1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-3-methoxypropan-2-ol (CID 103867520) is 1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-3-methoxypropan-2-ol is CCc1ncnc(NCC(O)COC)c1F.
What is the InChIKey of 1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-3-methoxypropan-2-ol?
The InChIKey is JGMMTFCYXLWFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3O2/c1-3-8-9(11)10(14-6-13-8)12-4-7(15)5-16-2/h6-7,15H,3-5H2,1-2H3,(H,12,13,14).
What are the key properties of 1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-3-methoxypropan-2-ol?
1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-3-methoxypropan-2-ol has a molecular weight of 229.25 g/mol, XLogP of 0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-3-methoxypropan-2-ol is sourced from PubChem (CID 103867520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).