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

C12H20FN3O — CID 103880137

IUPAC1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNc1ncnc(CC)c1F
InChIInChI=1S/C12H20FN3O/c1-4-6-12(3,17)7-14-11-10(13)9(5-2)15-8-16-11/h8,17H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyOATCJXFFXAYGNP-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.14
Rot. Bonds6

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

1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-2-methylpentan-2-ol (PubChem CID 103880137) has the molecular formula C12H20FN3O and a molecular weight of 241.31 g/mol. Its IUPAC name is 1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-2-methylpentan-2-ol
PubChem CID103880137
Molecular FormulaC12H20FN3O
Molecular Weight241.31 g/mol
Exact Mass241.16
IUPAC Name1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNc1ncnc(CC)c1F
InChIInChI=1S/C12H20FN3O/c1-4-6-12(3,17)7-14-11-10(13)9(5-2)15-8-16-11/h8,17H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyOATCJXFFXAYGNP-UHFFFAOYSA-N
XLogP2.14
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-2-methylpentan-2-ol?
The IUPAC name of 1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-2-methylpentan-2-ol (CID 103880137) is 1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-2-methylpentan-2-ol.
What is the SMILES notation for 1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-2-methylpentan-2-ol?
The canonical SMILES for 1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-2-methylpentan-2-ol is CCCC(C)(O)CNc1ncnc(CC)c1F.
What is the InChIKey of 1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-2-methylpentan-2-ol?
The InChIKey is OATCJXFFXAYGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN3O/c1-4-6-12(3,17)7-14-11-10(13)9(5-2)15-8-16-11/h8,17H,4-7H2,1-3H3,(H,14,15,16).
What are the key properties of 1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-2-methylpentan-2-ol?
1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-2-methylpentan-2-ol has a molecular weight of 241.31 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-2-methylpentan-2-ol is sourced from PubChem (CID 103880137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).