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

C12H21FN4O — CID 114169941

IUPAC1-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNc1nc(NCC)ncc1F
InChIInChI=1S/C12H21FN4O/c1-4-6-12(3,18)8-16-10-9(13)7-15-11(17-10)14-5-2/h7,18H,4-6,8H2,1-3H3,(H2,14,15,16,17)
InChIKeyLJUVTKLBXNGFOX-UHFFFAOYSA-N
MW256.32 g/mol
LogP2.01
Rot. Bonds7

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

1-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-2-methylpentan-2-ol (PubChem CID 114169941) has the molecular formula C12H21FN4O and a molecular weight of 256.32 g/mol. Its IUPAC name is 1-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-2-methylpentan-2-ol
PubChem CID114169941
Molecular FormulaC12H21FN4O
Molecular Weight256.32 g/mol
Exact Mass256.17
IUPAC Name1-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNc1nc(NCC)ncc1F
InChIInChI=1S/C12H21FN4O/c1-4-6-12(3,18)8-16-10-9(13)7-15-11(17-10)14-5-2/h7,18H,4-6,8H2,1-3H3,(H2,14,15,16,17)
InChIKeyLJUVTKLBXNGFOX-UHFFFAOYSA-N
XLogP2.01
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-2-methylpentan-2-ol?
The IUPAC name of 1-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-2-methylpentan-2-ol (CID 114169941) is 1-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-2-methylpentan-2-ol.
What is the SMILES notation for 1-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-2-methylpentan-2-ol?
The canonical SMILES for 1-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-2-methylpentan-2-ol is CCCC(C)(O)CNc1nc(NCC)ncc1F.
What is the InChIKey of 1-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-2-methylpentan-2-ol?
The InChIKey is LJUVTKLBXNGFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21FN4O/c1-4-6-12(3,18)8-16-10-9(13)7-15-11(17-10)14-5-2/h7,18H,4-6,8H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 1-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-2-methylpentan-2-ol?
1-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-2-methylpentan-2-ol has a molecular weight of 256.32 g/mol, XLogP of 2.01, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-2-methylpentan-2-ol is sourced from PubChem (CID 114169941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).