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

C11H19FN4O — CID 80845254

IUPAC2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-2-methylbutan-1-ol
SMILESCCNc1ncc(F)c(NC(C)(CC)CO)n1
InChIInChI=1S/C11H19FN4O/c1-4-11(3,7-17)16-9-8(12)6-14-10(15-9)13-5-2/h6,17H,4-5,7H2,1-3H3,(H2,13,14,15,16)
InChIKeyIKNXRZOQPANANK-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.62
Rot. Bonds6

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

2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-2-methylbutan-1-ol (PubChem CID 80845254) has the molecular formula C11H19FN4O and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-2-methylbutan-1-ol
PubChem CID80845254
Molecular FormulaC11H19FN4O
Molecular Weight242.30 g/mol
Exact Mass242.15
IUPAC Name2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-2-methylbutan-1-ol
SMILESCCNc1ncc(F)c(NC(C)(CC)CO)n1
InChIInChI=1S/C11H19FN4O/c1-4-11(3,7-17)16-9-8(12)6-14-10(15-9)13-5-2/h6,17H,4-5,7H2,1-3H3,(H2,13,14,15,16)
InChIKeyIKNXRZOQPANANK-UHFFFAOYSA-N
XLogP1.62
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-2-methylbutan-1-ol?
The IUPAC name of 2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-2-methylbutan-1-ol (CID 80845254) is 2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-2-methylbutan-1-ol.
What is the SMILES notation for 2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-2-methylbutan-1-ol?
The canonical SMILES for 2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-2-methylbutan-1-ol is CCNc1ncc(F)c(NC(C)(CC)CO)n1.
What is the InChIKey of 2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-2-methylbutan-1-ol?
The InChIKey is IKNXRZOQPANANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN4O/c1-4-11(3,7-17)16-9-8(12)6-14-10(15-9)13-5-2/h6,17H,4-5,7H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-2-methylbutan-1-ol?
2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-2-methylbutan-1-ol has a molecular weight of 242.30 g/mol, XLogP of 1.62, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-2-methylbutan-1-ol is sourced from PubChem (CID 80845254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).