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

C9H14FN3O — CID 164645433

IUPAC2-[(2-fluoropyrimidin-4-yl)-methylamino]-2-methylpropan-1-ol
SMILESCN(c1ccnc(F)n1)C(C)(C)CO
InChIInChI=1S/C9H14FN3O/c1-9(2,6-14)13(3)7-4-5-11-8(10)12-7/h4-5,14H,6H2,1-3H3
InChIKeyLZSORWLCXTZRMW-UHFFFAOYSA-N
MW199.23 g/mol
LogP0.82
Rot. Bonds3

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

2-[(2-fluoropyrimidin-4-yl)-methylamino]-2-methylpropan-1-ol (PubChem CID 164645433) has the molecular formula C9H14FN3O and a molecular weight of 199.23 g/mol. Its IUPAC name is 2-[(2-fluoropyrimidin-4-yl)-methylamino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[(2-fluoropyrimidin-4-yl)-methylamino]-2-methylpropan-1-ol
PubChem CID164645433
Molecular FormulaC9H14FN3O
Molecular Weight199.23 g/mol
Exact Mass199.11
IUPAC Name2-[(2-fluoropyrimidin-4-yl)-methylamino]-2-methylpropan-1-ol
SMILESCN(c1ccnc(F)n1)C(C)(C)CO
InChIInChI=1S/C9H14FN3O/c1-9(2,6-14)13(3)7-4-5-11-8(10)12-7/h4-5,14H,6H2,1-3H3
InChIKeyLZSORWLCXTZRMW-UHFFFAOYSA-N
XLogP0.82
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-[(1R)-1-aminoethyl]-2-pyridinyl]-methylamino]-2-methylpropan-1-ol
CID 104863980
2-[[5-[(1R)-1-hydroxyethyl]-2-pyridinyl]-methylamino]-2-methylpropan-1-ol
CID 104864024
2-[[5-[(1S)-1-aminoethyl]-2-pyridinyl]-methylamino]-2-methylpropan-1-ol
CID 104863989
N-tert-butyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 118391837
2-methyl-2-[methyl-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol
CID 102719263
6-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-N-methylpyridazine-3-carboxamide
CID 113476224
2-[methyl(2-methylbutan-2-yl)amino]pyridine-4-carboxylic acid
CID 63957871
(2R)-2-amino-2-(2-fluoropyrimidin-4-yl)propanamide
CID 68982070
2-methyl-2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol
CID 107305731
2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-6-methylpyridine-4-carboximidamide
CID 114769147
2-methyl-2-(N-methyl-4-phenylanilino)propan-1-ol
CID 115133254
1-[(2-aminopyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol
CID 80848859

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoropyrimidin-4-yl)-methylamino]-2-methylpropan-1-ol?
The IUPAC name of 2-[(2-fluoropyrimidin-4-yl)-methylamino]-2-methylpropan-1-ol (CID 164645433) is 2-[(2-fluoropyrimidin-4-yl)-methylamino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[(2-fluoropyrimidin-4-yl)-methylamino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[(2-fluoropyrimidin-4-yl)-methylamino]-2-methylpropan-1-ol is CN(c1ccnc(F)n1)C(C)(C)CO.
What is the InChIKey of 2-[(2-fluoropyrimidin-4-yl)-methylamino]-2-methylpropan-1-ol?
The InChIKey is LZSORWLCXTZRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3O/c1-9(2,6-14)13(3)7-4-5-11-8(10)12-7/h4-5,14H,6H2,1-3H3.
What are the key properties of 2-[(2-fluoropyrimidin-4-yl)-methylamino]-2-methylpropan-1-ol?
2-[(2-fluoropyrimidin-4-yl)-methylamino]-2-methylpropan-1-ol has a molecular weight of 199.23 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluoropyrimidin-4-yl)-methylamino]-2-methylpropan-1-ol is sourced from PubChem (CID 164645433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).