1-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2-methylpropan-2-ol

C9H15FN4O — CID 80841199

IUPAC1-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2-methylpropan-2-ol
SMILESCNc1ncc(F)c(NCC(C)(C)O)n1
InChIInChI=1S/C9H15FN4O/c1-9(2,15)5-13-7-6(10)4-12-8(11-3)14-7/h4,15H,5H2,1-3H3,(H2,11,12,13,14)
InChIKeyGDIIDISFANFBGS-UHFFFAOYSA-N
MW214.24 g/mol
LogP0.84
Rot. Bonds4

About 1-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2-methylpropan-2-ol

1-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2-methylpropan-2-ol (PubChem CID 80841199) has the molecular formula C9H15FN4O and a molecular weight of 214.24 g/mol. Its IUPAC name is 1-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2-methylpropan-2-ol
PubChem CID80841199
Molecular FormulaC9H15FN4O
Molecular Weight214.24 g/mol
Exact Mass214.12
IUPAC Name1-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2-methylpropan-2-ol
SMILESCNc1ncc(F)c(NCC(C)(C)O)n1
InChIInChI=1S/C9H15FN4O/c1-9(2,15)5-13-7-6(10)4-12-8(11-3)14-7/h4,15H,5H2,1-3H3,(H2,11,12,13,14)
InChIKeyGDIIDISFANFBGS-UHFFFAOYSA-N
XLogP0.84
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
CID 114150361
2-ethyl-2-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]butan-1-ol
CID 106258388
3-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol
CID 106198584
5-fluoro-2-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine
CID 80828658
1-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80779218
4-N-tert-butyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80768846
4-N-(2-cyclopropylethyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80847388
5-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 106138236
5-fluoro-2-N-methyl-4-N-octylpyrimidine-2,4-diamine
CID 113336792
4-N-[2-(dimethylamino)propyl]-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80819052
4-N-[2-(4-chlorophenyl)ethyl]-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80794050
1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-2-methylbutan-2-ol
CID 80842696

Frequently Asked Questions

What is the IUPAC name of 1-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2-methylpropan-2-ol (CID 80841199) is 1-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2-methylpropan-2-ol is CNc1ncc(F)c(NCC(C)(C)O)n1.
What is the InChIKey of 1-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2-methylpropan-2-ol?
The InChIKey is GDIIDISFANFBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN4O/c1-9(2,15)5-13-7-6(10)4-12-8(11-3)14-7/h4,15H,5H2,1-3H3,(H2,11,12,13,14).
What are the key properties of 1-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2-methylpropan-2-ol?
1-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2-methylpropan-2-ol has a molecular weight of 214.24 g/mol, XLogP of 0.84, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2-methylpropan-2-ol is sourced from PubChem (CID 80841199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).