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

C14H25FN4O — CID 80851076

IUPAC1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-2,4-dimethylpentan-2-ol
SMILESCCCNc1ncc(F)c(NCC(C)(O)CC(C)C)n1
InChIInChI=1S/C14H25FN4O/c1-5-6-16-13-17-8-11(15)12(19-13)18-9-14(4,20)7-10(2)3/h8,10,20H,5-7,9H2,1-4H3,(H2,16,17,18,19)
InChIKeyZVPHHOMGIPYLNS-UHFFFAOYSA-N
MW284.38 g/mol
LogP2.65
Rot. Bonds8

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

1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-2,4-dimethylpentan-2-ol (PubChem CID 80851076) has the molecular formula C14H25FN4O and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-2,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-2,4-dimethylpentan-2-ol
PubChem CID80851076
Molecular FormulaC14H25FN4O
Molecular Weight284.38 g/mol
Exact Mass284.20
IUPAC Name1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-2,4-dimethylpentan-2-ol
SMILESCCCNc1ncc(F)c(NCC(C)(O)CC(C)C)n1
InChIInChI=1S/C14H25FN4O/c1-5-6-16-13-17-8-11(15)12(19-13)18-9-14(4,20)7-10(2)3/h8,10,20H,5-7,9H2,1-4H3,(H2,16,17,18,19)
InChIKeyZVPHHOMGIPYLNS-UHFFFAOYSA-N
XLogP2.65
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.65
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]-2,4-dimethylpentan-2-ol?
The IUPAC name of 1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-2,4-dimethylpentan-2-ol (CID 80851076) is 1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-2,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-2,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-2,4-dimethylpentan-2-ol is CCCNc1ncc(F)c(NCC(C)(O)CC(C)C)n1.
What is the InChIKey of 1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-2,4-dimethylpentan-2-ol?
The InChIKey is ZVPHHOMGIPYLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25FN4O/c1-5-6-16-13-17-8-11(15)12(19-13)18-9-14(4,20)7-10(2)3/h8,10,20H,5-7,9H2,1-4H3,(H2,16,17,18,19).
What are the key properties of 1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-2,4-dimethylpentan-2-ol?
1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-2,4-dimethylpentan-2-ol has a molecular weight of 284.38 g/mol, XLogP of 2.65, 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]-2,4-dimethylpentan-2-ol is sourced from PubChem (CID 80851076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).