3-[[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pentan-1-ol

C12H19F3N4O — CID 114565499

IUPAC3-[[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pentan-1-ol
SMILESCCC(CCO)CNc1cc(C(F)(F)F)nc(NC)n1
InChIInChI=1S/C12H19F3N4O/c1-3-8(4-5-20)7-17-10-6-9(12(13,14)15)18-11(16-2)19-10/h6,8,20H,3-5,7H2,1-2H3,(H2,16,17,18,19)
InChIKeyRSYYDWSXTCXJDY-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.36
Rot. Bonds7

About 3-[[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pentan-1-ol

3-[[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pentan-1-ol (PubChem CID 114565499) has the molecular formula C12H19F3N4O and a molecular weight of 292.31 g/mol. Its IUPAC name is 3-[[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pentan-1-ol.

Molecular Properties

Compound Name3-[[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pentan-1-ol
PubChem CID114565499
Molecular FormulaC12H19F3N4O
Molecular Weight292.31 g/mol
Exact Mass292.15
IUPAC Name3-[[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pentan-1-ol
SMILESCCC(CCO)CNc1cc(C(F)(F)F)nc(NC)n1
InChIInChI=1S/C12H19F3N4O/c1-3-8(4-5-20)7-17-10-6-9(12(13,14)15)18-11(16-2)19-10/h6,8,20H,3-5,7H2,1-2H3,(H2,16,17,18,19)
InChIKeyRSYYDWSXTCXJDY-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pentan-1-ol with MolForge

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Related Compounds

3-[[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pentan-1-ol
CID 106772537
2-N-methyl-6-(trifluoromethyl)-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4-diamine
CID 114565666
2-N-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565150
1-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol
CID 114567616
2-N-methyl-4-N-pentan-3-yl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563840
3-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-1-ol
CID 114565912
2-methyl-1-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol
CID 114565294
3-methyl-3-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-1-ol
CID 106179204
3-[[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-1-ol
CID 114565668
4-N-(3,3-dimethylbutyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565969
4-N-[3-(diethylamino)propyl]-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563903
2-methyl-3-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-1-ol
CID 114565854

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pentan-1-ol?
The IUPAC name of 3-[[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pentan-1-ol (CID 114565499) is 3-[[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pentan-1-ol.
What is the SMILES notation for 3-[[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pentan-1-ol?
The canonical SMILES for 3-[[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pentan-1-ol is CCC(CCO)CNc1cc(C(F)(F)F)nc(NC)n1.
What is the InChIKey of 3-[[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pentan-1-ol?
The InChIKey is RSYYDWSXTCXJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4O/c1-3-8(4-5-20)7-17-10-6-9(12(13,14)15)18-11(16-2)19-10/h6,8,20H,3-5,7H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 3-[[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pentan-1-ol?
3-[[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pentan-1-ol has a molecular weight of 292.31 g/mol, XLogP of 2.36, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pentan-1-ol is sourced from PubChem (CID 114565499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).