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

C9H15FN4O — CID 80827352

IUPAC1-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]-methylamino]propan-2-ol
SMILESCNc1ncc(F)c(N(C)CC(C)O)n1
InChIInChI=1S/C9H15FN4O/c1-6(15)5-14(3)8-7(10)4-12-9(11-2)13-8/h4,6,15H,5H2,1-3H3,(H,11,12,13)
InChIKeyFMBASGHBGXWBTE-UHFFFAOYSA-N
MW214.24 g/mol
LogP0.47
Rot. Bonds4

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

1-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]-methylamino]propan-2-ol (PubChem CID 80827352) 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]-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]-methylamino]propan-2-ol
PubChem CID80827352
Molecular FormulaC9H15FN4O
Molecular Weight214.24 g/mol
Exact Mass214.12
IUPAC Name1-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]-methylamino]propan-2-ol
SMILESCNc1ncc(F)c(N(C)CC(C)O)n1
InChIInChI=1S/C9H15FN4O/c1-6(15)5-14(3)8-7(10)4-12-9(11-2)13-8/h4,6,15H,5H2,1-3H3,(H,11,12,13)
InChIKeyFMBASGHBGXWBTE-UHFFFAOYSA-N
XLogP0.47
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]-methylamino]propan-2-ol with MolForge

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Related Compounds

4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 103192486
4-N,4-N-diethyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80767009
5-fluoro-2-N-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4-diamine
CID 80775301
1-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80779218
5-fluoro-2-N,4-N-dimethyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 80794294
5-fluoro-2-N,4-N-dimethyl-4-N-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine
CID 80851704
3-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]-(2-methylpropyl)amino]propanenitrile
CID 80812628
2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol
CID 80811048
4-N-ethyl-5-fluoro-4-N-(1-methoxypropan-2-yl)-2-N-methylpyrimidine-2,4-diamine
CID 80814766
2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide
CID 80821237
3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile
CID 80809891
4-N,4-N-dibutyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80753683

Frequently Asked Questions

What is the IUPAC name of 1-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]-methylamino]propan-2-ol?
The IUPAC name of 1-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]-methylamino]propan-2-ol (CID 80827352) is 1-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]-methylamino]propan-2-ol.
What is the SMILES notation for 1-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]-methylamino]propan-2-ol?
The canonical SMILES for 1-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]-methylamino]propan-2-ol is CNc1ncc(F)c(N(C)CC(C)O)n1.
What is the InChIKey of 1-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]-methylamino]propan-2-ol?
The InChIKey is FMBASGHBGXWBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN4O/c1-6(15)5-14(3)8-7(10)4-12-9(11-2)13-8/h4,6,15H,5H2,1-3H3,(H,11,12,13).
What are the key properties of 1-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]-methylamino]propan-2-ol?
1-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]-methylamino]propan-2-ol has a molecular weight of 214.24 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 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]-methylamino]propan-2-ol is sourced from PubChem (CID 80827352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).