3-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol

C11H19FN4O — CID 106198584

IUPAC3-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol
SMILESCNc1ncc(F)c(NC(C)(C)C(C)(C)O)n1
InChIInChI=1S/C11H19FN4O/c1-10(2,11(3,4)17)16-8-7(12)6-14-9(13-5)15-8/h6,17H,1-5H3,(H2,13,14,15,16)
InChIKeySXHHADBKSQBZKU-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.62
Rot. Bonds4

About 3-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol

3-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol (PubChem CID 106198584) has the molecular formula C11H19FN4O and a molecular weight of 242.30 g/mol. Its IUPAC name is 3-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name3-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol
PubChem CID106198584
Molecular FormulaC11H19FN4O
Molecular Weight242.30 g/mol
Exact Mass242.15
IUPAC Name3-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol
SMILESCNc1ncc(F)c(NC(C)(C)C(C)(C)O)n1
InChIInChI=1S/C11H19FN4O/c1-10(2,11(3,4)17)16-8-7(12)6-14-9(13-5)15-8/h6,17H,1-5H3,(H2,13,14,15,16)
InChIKeySXHHADBKSQBZKU-UHFFFAOYSA-N
XLogP1.62
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
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 3-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol?
The IUPAC name of 3-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol (CID 106198584) is 3-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 3-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol?
The canonical SMILES for 3-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol is CNc1ncc(F)c(NC(C)(C)C(C)(C)O)n1.
What is the InChIKey of 3-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol?
The InChIKey is SXHHADBKSQBZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN4O/c1-10(2,11(3,4)17)16-8-7(12)6-14-9(13-5)15-8/h6,17H,1-5H3,(H2,13,14,15,16).
What are the key properties of 3-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol?
3-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol has a molecular weight of 242.30 g/mol, XLogP of 1.62, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 106198584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).