6-methyl-2-N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]oxybutan-2-yl]-1,3,5-triazine-2,4-diamine

C13H16F3N7O — CID 21348570

IUPAC6-methyl-2-N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]oxybutan-2-yl]-1,3,5-triazine-2,4-diamine
SMILESCCC(COc1cnc(C(F)(F)F)nc1)Nc1nc(C)nc(N)n1
InChIInChI=1S/C13H16F3N7O/c1-3-8(22-12-21-7(2)20-11(17)23-12)6-24-9-4-18-10(19-5-9)13(14,15)16/h4-5,8H,3,6H2,1-2H3,(H3,17,20,21,22,23)
InChIKeyWOLKLQIUTLNDIL-UHFFFAOYSA-N
MW343.31 g/mol
LogP1.84
Rot. Bonds6

About 6-methyl-2-N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]oxybutan-2-yl]-1,3,5-triazine-2,4-diamine

6-methyl-2-N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]oxybutan-2-yl]-1,3,5-triazine-2,4-diamine (PubChem CID 21348570) has the molecular formula C13H16F3N7O and a molecular weight of 343.31 g/mol. Its IUPAC name is 6-methyl-2-N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]oxybutan-2-yl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-2-N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]oxybutan-2-yl]-1,3,5-triazine-2,4-diamine
PubChem CID21348570
Molecular FormulaC13H16F3N7O
Molecular Weight343.31 g/mol
Exact Mass343.14
IUPAC Name6-methyl-2-N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]oxybutan-2-yl]-1,3,5-triazine-2,4-diamine
SMILESCCC(COc1cnc(C(F)(F)F)nc1)Nc1nc(C)nc(N)n1
InChIInChI=1S/C13H16F3N7O/c1-3-8(22-12-21-7(2)20-11(17)23-12)6-24-9-4-18-10(19-5-9)13(14,15)16/h4-5,8H,3,6H2,1-2H3,(H3,17,20,21,22,23)
InChIKeyWOLKLQIUTLNDIL-UHFFFAOYSA-N
XLogP1.84
TPSA111.73 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-methyl-2-N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]oxybutan-2-yl]-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

4-N-butyl-5-propan-2-yloxypyrimidine-2,4-diamine
CID 70856469
4-N-butyl-5-propoxypyrimidine-2,4-diamine
CID 70856429
4-N-butyl-5-ethoxypyrimidine-2,4-diamine
CID 70856441
5-ethoxy-4-N-pentylpyrimidine-2,4-diamine
CID 70856447
5-methoxy-4-N-(4,4,4-trifluorobutyl)pyrimidine-2,4-diamine
CID 89966608
2-chloro-7-methyl-6H,7H,8H-pyrimido[5,4-b][1,4]oxazine
CID 118055064
2-(aminomethyl)-5-methoxy-N-propan-2-ylpyrimidin-4-amine
CID 51040503
5-methoxy-N-propan-2-yl-2-pyrimidin-2-ylpyrimidin-4-amine
CID 51042020
5-Methoxy-4-(piperazin-1-yl)-2-(trifluoromethyl)pyrimidine
CID 27282734
2-(aminomethyl)-N-propan-2-yl-5-propan-2-yloxypyrimidin-4-amine
CID 51042446
5-[(2,2-Difluorocyclopropyl)methoxy]-2-methylpyrimidine
CID 67988025
4-N-butyl-5-[2-(2,2,2-trifluoroethoxy)ethoxy]pyrimidine-2,4-diamine
CID 89967041

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]oxybutan-2-yl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-methyl-2-N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]oxybutan-2-yl]-1,3,5-triazine-2,4-diamine (CID 21348570) is 6-methyl-2-N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]oxybutan-2-yl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-methyl-2-N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]oxybutan-2-yl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-methyl-2-N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]oxybutan-2-yl]-1,3,5-triazine-2,4-diamine is CCC(COc1cnc(C(F)(F)F)nc1)Nc1nc(C)nc(N)n1.
What is the InChIKey of 6-methyl-2-N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]oxybutan-2-yl]-1,3,5-triazine-2,4-diamine?
The InChIKey is WOLKLQIUTLNDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N7O/c1-3-8(22-12-21-7(2)20-11(17)23-12)6-24-9-4-18-10(19-5-9)13(14,15)16/h4-5,8H,3,6H2,1-2H3,(H3,17,20,21,22,23).
What are the key properties of 6-methyl-2-N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]oxybutan-2-yl]-1,3,5-triazine-2,4-diamine?
6-methyl-2-N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]oxybutan-2-yl]-1,3,5-triazine-2,4-diamine has a molecular weight of 343.31 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]oxybutan-2-yl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 21348570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).