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

C13H23FN4O — CID 80850675

IUPAC1-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-2,4-dimethylpentan-2-ol
SMILESCCNc1ncc(F)c(NCC(C)(O)CC(C)C)n1
InChIInChI=1S/C13H23FN4O/c1-5-15-12-16-7-10(14)11(18-12)17-8-13(4,19)6-9(2)3/h7,9,19H,5-6,8H2,1-4H3,(H2,15,16,17,18)
InChIKeyPODGANCVUXAUSJ-UHFFFAOYSA-N
MW270.35 g/mol
LogP2.26
Rot. Bonds7

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

1-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-2,4-dimethylpentan-2-ol (PubChem CID 80850675) has the molecular formula C13H23FN4O and a molecular weight of 270.35 g/mol. Its IUPAC name is 1-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-2,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-2,4-dimethylpentan-2-ol
PubChem CID80850675
Molecular FormulaC13H23FN4O
Molecular Weight270.35 g/mol
Exact Mass270.19
IUPAC Name1-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-2,4-dimethylpentan-2-ol
SMILESCCNc1ncc(F)c(NCC(C)(O)CC(C)C)n1
InChIInChI=1S/C13H23FN4O/c1-5-15-12-16-7-10(14)11(18-12)17-8-13(4,19)6-9(2)3/h7,9,19H,5-6,8H2,1-4H3,(H2,15,16,17,18)
InChIKeyPODGANCVUXAUSJ-UHFFFAOYSA-N
XLogP2.26
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 52.26
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]-2,4-dimethylpentan-2-ol?
The IUPAC name of 1-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-2,4-dimethylpentan-2-ol (CID 80850675) is 1-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-2,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-2,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-2,4-dimethylpentan-2-ol is CCNc1ncc(F)c(NCC(C)(O)CC(C)C)n1.
What is the InChIKey of 1-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-2,4-dimethylpentan-2-ol?
The InChIKey is PODGANCVUXAUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23FN4O/c1-5-15-12-16-7-10(14)11(18-12)17-8-13(4,19)6-9(2)3/h7,9,19H,5-6,8H2,1-4H3,(H2,15,16,17,18).
What are the key properties of 1-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-2,4-dimethylpentan-2-ol?
1-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-2,4-dimethylpentan-2-ol has a molecular weight of 270.35 g/mol, XLogP of 2.26, 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]-2,4-dimethylpentan-2-ol is sourced from PubChem (CID 80850675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).