3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propane-1,2-diol

C9H14FN3O2 — CID 103880399

IUPAC3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propane-1,2-diol
SMILESCCc1ncnc(NCC(O)CO)c1F
InChIInChI=1S/C9H14FN3O2/c1-2-7-8(10)9(13-5-12-7)11-3-6(15)4-14/h5-6,14-15H,2-4H2,1H3,(H,11,12,13)
InChIKeyGESDSACVEDOVRC-UHFFFAOYSA-N
MW215.23 g/mol
LogP-0.06
Rot. Bonds5

About 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propane-1,2-diol

3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propane-1,2-diol (PubChem CID 103880399) has the molecular formula C9H14FN3O2 and a molecular weight of 215.23 g/mol. Its IUPAC name is 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propane-1,2-diol
PubChem CID103880399
Molecular FormulaC9H14FN3O2
Molecular Weight215.23 g/mol
Exact Mass215.11
IUPAC Name3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propane-1,2-diol
SMILESCCc1ncnc(NCC(O)CO)c1F
InChIInChI=1S/C9H14FN3O2/c1-2-7-8(10)9(13-5-12-7)11-3-6(15)4-14/h5-6,14-15H,2-4H2,1H3,(H,11,12,13)
InChIKeyGESDSACVEDOVRC-UHFFFAOYSA-N
XLogP-0.06
TPSA78.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propane-1,2-diol with MolForge

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Related Compounds

3-((5-Chloro-6-ethylpyrimidin-4-yl)amino)propan-1-ol
CID 21252662
1-methoxy-3-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-ylamino)propan-2-ol
CID 56902515
2-[[(6-Ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 71906577
[1-[(6-Ethyl-5-fluoropyrimidin-4-yl)amino]cyclopentyl]methanol
CID 75438010
1-(6-Ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-3-ol
CID 108152161
(3R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-4,4-dimethylpyrrolidin-3-ol
CID 125139672
2-{[1-(6-Ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]amino}ethan-1-ol
CID 132376174
6-ethyl-5-fluoro-N-(oxetan-3-yl)pyrimidin-4-amine
CID 90249316
5-fluoro-N-(oxetan-3-yl)-6-propan-2-ylpyrimidin-4-amine
CID 134598554
(3S*,4R*)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-4-methylpiperidine-3,4-diol
CID 72838621
(3S*,4S*)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-4-methylpiperidine-3,4-diol
CID 72845575
[1-(6-Ethyl-5-fluoropyrimidin-4-yl)azetidin-3-yl]methanol
CID 75504421

Frequently Asked Questions

What is the IUPAC name of 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propane-1,2-diol?
The IUPAC name of 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propane-1,2-diol (CID 103880399) is 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propane-1,2-diol.
What is the SMILES notation for 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propane-1,2-diol?
The canonical SMILES for 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propane-1,2-diol is CCc1ncnc(NCC(O)CO)c1F.
What is the InChIKey of 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propane-1,2-diol?
The InChIKey is GESDSACVEDOVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3O2/c1-2-7-8(10)9(13-5-12-7)11-3-6(15)4-14/h5-6,14-15H,2-4H2,1H3,(H,11,12,13).
What are the key properties of 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propane-1,2-diol?
3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propane-1,2-diol has a molecular weight of 215.23 g/mol, XLogP of -0.06, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propane-1,2-diol is sourced from PubChem (CID 103880399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).