1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol

C13H23FN4O — CID 106296403

IUPAC1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol
SMILESCCCNc1ncc(F)c(NCC(C)(O)CCC)n1
InChIInChI=1S/C13H23FN4O/c1-4-6-13(3,19)9-17-11-10(14)8-16-12(18-11)15-7-5-2/h8,19H,4-7,9H2,1-3H3,(H2,15,16,17,18)
InChIKeyVSJSZLBTRNWISF-UHFFFAOYSA-N
MW270.35 g/mol
LogP2.40
Rot. Bonds8

About 1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol

1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol (PubChem CID 106296403) has the molecular formula C13H23FN4O and a molecular weight of 270.35 g/mol. Its IUPAC name is 1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol
PubChem CID106296403
Molecular FormulaC13H23FN4O
Molecular Weight270.35 g/mol
Exact Mass270.19
IUPAC Name1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol
SMILESCCCNc1ncc(F)c(NCC(C)(O)CCC)n1
InChIInChI=1S/C13H23FN4O/c1-4-6-13(3,19)9-17-11-10(14)8-16-12(18-11)15-7-5-2/h8,19H,4-7,9H2,1-3H3,(H2,15,16,17,18)
InChIKeyVSJSZLBTRNWISF-UHFFFAOYSA-N
XLogP2.40
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol?
The IUPAC name of 1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol (CID 106296403) is 1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol.
What is the SMILES notation for 1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol?
The canonical SMILES for 1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol is CCCNc1ncc(F)c(NCC(C)(O)CCC)n1.
What is the InChIKey of 1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol?
The InChIKey is VSJSZLBTRNWISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23FN4O/c1-4-6-13(3,19)9-17-11-10(14)8-16-12(18-11)15-7-5-2/h8,19H,4-7,9H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol?
1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol has a molecular weight of 270.35 g/mol, XLogP of 2.40, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol is sourced from PubChem (CID 106296403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).