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

C12H21FN4O — CID 80844927

IUPAC2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-2-methylbutan-1-ol
SMILESCCCNc1ncc(F)c(NC(C)(CC)CO)n1
InChIInChI=1S/C12H21FN4O/c1-4-6-14-11-15-7-9(13)10(16-11)17-12(3,5-2)8-18/h7,18H,4-6,8H2,1-3H3,(H2,14,15,16,17)
InChIKeyZKTCFQKPXLGJBI-UHFFFAOYSA-N
MW256.32 g/mol
LogP2.01
Rot. Bonds7

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

2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-2-methylbutan-1-ol (PubChem CID 80844927) has the molecular formula C12H21FN4O and a molecular weight of 256.32 g/mol. Its IUPAC name is 2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-2-methylbutan-1-ol
PubChem CID80844927
Molecular FormulaC12H21FN4O
Molecular Weight256.32 g/mol
Exact Mass256.17
IUPAC Name2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-2-methylbutan-1-ol
SMILESCCCNc1ncc(F)c(NC(C)(CC)CO)n1
InChIInChI=1S/C12H21FN4O/c1-4-6-14-11-15-7-9(13)10(16-11)17-12(3,5-2)8-18/h7,18H,4-6,8H2,1-3H3,(H2,14,15,16,17)
InChIKeyZKTCFQKPXLGJBI-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 2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-2-methylbutan-1-ol?
The IUPAC name of 2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-2-methylbutan-1-ol (CID 80844927) is 2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-2-methylbutan-1-ol.
What is the SMILES notation for 2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-2-methylbutan-1-ol?
The canonical SMILES for 2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-2-methylbutan-1-ol is CCCNc1ncc(F)c(NC(C)(CC)CO)n1.
What is the InChIKey of 2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-2-methylbutan-1-ol?
The InChIKey is ZKTCFQKPXLGJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21FN4O/c1-4-6-14-11-15-7-9(13)10(16-11)17-12(3,5-2)8-18/h7,18H,4-6,8H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-2-methylbutan-1-ol?
2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-2-methylbutan-1-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 2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-2-methylbutan-1-ol is sourced from PubChem (CID 80844927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).