3-[[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-1-ol

C12H19F3N4O — CID 114565668

IUPAC3-[[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-1-ol
SMILESCCCNc1nc(NC(C)CCO)cc(C(F)(F)F)n1
InChIInChI=1S/C12H19F3N4O/c1-3-5-16-11-18-9(12(13,14)15)7-10(19-11)17-8(2)4-6-20/h7-8,20H,3-6H2,1-2H3,(H2,16,17,18,19)
InChIKeySVZHSTDNYIKEFA-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.50
Rot. Bonds7

About 3-[[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-1-ol

3-[[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-1-ol (PubChem CID 114565668) has the molecular formula C12H19F3N4O and a molecular weight of 292.31 g/mol. Its IUPAC name is 3-[[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-1-ol.

Molecular Properties

Compound Name3-[[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-1-ol
PubChem CID114565668
Molecular FormulaC12H19F3N4O
Molecular Weight292.31 g/mol
Exact Mass292.15
IUPAC Name3-[[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-1-ol
SMILESCCCNc1nc(NC(C)CCO)cc(C(F)(F)F)n1
InChIInChI=1S/C12H19F3N4O/c1-3-5-16-11-18-9(12(13,14)15)7-10(19-11)17-8(2)4-6-20/h7-8,20H,3-6H2,1-2H3,(H2,16,17,18,19)
InChIKeySVZHSTDNYIKEFA-UHFFFAOYSA-N
XLogP2.50
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-1-ol with MolForge

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Related Compounds

3-[[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butanamide
CID 114565928
3-methyl-3-[[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol
CID 114565961
3-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-1-ol
CID 114565912
3-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 83180781
3-[[2-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 83180272
4-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-1-ol
CID 106772532
6-methyl-4-N-(5-methylhexan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80839957
4-N-(1-ethoxypropan-2-yl)-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564720
2-N-ethyl-4-N-(1-methylsulfonylpropan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565253
3-[[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pentan-1-ol
CID 114565499
4-N-[1-(diethylamino)propan-2-yl]-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564798
4-N-(2,2-dimethylcyclopropyl)-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564776

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-1-ol?
The IUPAC name of 3-[[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-1-ol (CID 114565668) is 3-[[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-1-ol.
What is the SMILES notation for 3-[[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-1-ol?
The canonical SMILES for 3-[[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-1-ol is CCCNc1nc(NC(C)CCO)cc(C(F)(F)F)n1.
What is the InChIKey of 3-[[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-1-ol?
The InChIKey is SVZHSTDNYIKEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4O/c1-3-5-16-11-18-9(12(13,14)15)7-10(19-11)17-8(2)4-6-20/h7-8,20H,3-6H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 3-[[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-1-ol?
3-[[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-1-ol has a molecular weight of 292.31 g/mol, XLogP of 2.50, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-1-ol is sourced from PubChem (CID 114565668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).