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

C9H15FN4O — CID 80847985

IUPAC1-[(2-amino-5-fluoropyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol
SMILESCN(CC(C)(C)O)c1nc(N)ncc1F
InChIInChI=1S/C9H15FN4O/c1-9(2,15)5-14(3)7-6(10)4-12-8(11)13-7/h4,15H,5H2,1-3H3,(H2,11,12,13)
InChIKeyKRZSTBJCHKVJRF-UHFFFAOYSA-N
MW214.24 g/mol
LogP0.41
Rot. Bonds3

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

1-[(2-amino-5-fluoropyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol (PubChem CID 80847985) has the molecular formula C9H15FN4O and a molecular weight of 214.24 g/mol. Its IUPAC name is 1-[(2-amino-5-fluoropyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(2-amino-5-fluoropyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol
PubChem CID80847985
Molecular FormulaC9H15FN4O
Molecular Weight214.24 g/mol
Exact Mass214.12
IUPAC Name1-[(2-amino-5-fluoropyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol
SMILESCN(CC(C)(C)O)c1nc(N)ncc1F
InChIInChI=1S/C9H15FN4O/c1-9(2,15)5-14(3)7-6(10)4-12-8(11)13-7/h4,15H,5H2,1-3H3,(H2,11,12,13)
InChIKeyKRZSTBJCHKVJRF-UHFFFAOYSA-N
XLogP0.41
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-Amino-5-fluoro-2-methoxypyrimidine
CID 44630535
5-Fluoro-2-(morpholin-4-yl)pyrimidin-4-amine
CID 756382
5-fluoro-N-methyl-2-(morpholin-4-yl)pyrimidin-4-amine
CID 3121396
2-Tert-butyl-5-fluoropyrimidin-4-amine
CID 153204181
2-Butoxy-5-fluoropyrimidin-4-amine
CID 89165285
5-fluoro-N,N-dimethyl-2-morpholin-4-ylpyrimidin-4-amine
CID 3147873
2-[(5-Fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-methylamino]ethanol
CID 50962051
1-[(5-Bromopyrimidin-2-yl)-methylamino]-2-methylpropan-2-ol
CID 56790917
(6S)-1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-4-propyl-1,4-diazepan-6-ol
CID 99974120
4-N-(2,2-difluoroethyl)-5-fluoro-2-N-(2-methoxyethyl)-2-N-methylpyrimidine-2,4-diamine
CID 126829731
2-Ethoxy-5-fluoropyrimidin-4-amine
CID 92005
2-Amino-4-(t-butylamino)-5-fluoropyrimidine
CID 22121290

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-5-fluoropyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(2-amino-5-fluoropyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol (CID 80847985) is 1-[(2-amino-5-fluoropyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(2-amino-5-fluoropyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(2-amino-5-fluoropyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol is CN(CC(C)(C)O)c1nc(N)ncc1F.
What is the InChIKey of 1-[(2-amino-5-fluoropyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol?
The InChIKey is KRZSTBJCHKVJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN4O/c1-9(2,15)5-14(3)7-6(10)4-12-8(11)13-7/h4,15H,5H2,1-3H3,(H2,11,12,13).
What are the key properties of 1-[(2-amino-5-fluoropyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol?
1-[(2-amino-5-fluoropyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol has a molecular weight of 214.24 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-5-fluoropyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 80847985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).