2,5-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine

C9H12F3N3O — CID 80878447

IUPAC2,5-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine
SMILESCc1nc(N)c(C)c(OC(C)C(F)(F)F)n1
InChIInChI=1S/C9H12F3N3O/c1-4-7(13)14-6(3)15-8(4)16-5(2)9(10,11)12/h5H,1-3H3,(H2,13,14,15)
InChIKeyVWSNZSIEQPDEHN-UHFFFAOYSA-N
MW235.21 g/mol
LogP2.01
Rot. Bonds2

About 2,5-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine

2,5-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine (PubChem CID 80878447) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is 2,5-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine
PubChem CID80878447
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name2,5-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine
SMILESCc1nc(N)c(C)c(OC(C)C(F)(F)F)n1
InChIInChI=1S/C9H12F3N3O/c1-4-7(13)14-6(3)15-8(4)16-5(2)9(10,11)12/h5H,1-3H3,(H2,13,14,15)
InChIKeyVWSNZSIEQPDEHN-UHFFFAOYSA-N
XLogP2.01
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Fluoro-6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidine
CID 13379302
2,4-Diethoxy-5,6-difluoropyrimidine
CID 134912746
4,6-Diethoxy-2,5-dimethylpyrimidine
CID 60096147
6-Methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-amine
CID 13379306
4-Hydrazino-6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidine
CID 18544800
4-Methoxy-6-propan-2-yloxy-2-(trifluoromethyl)pyrimidine
CID 69908737
5-Bromo-4-methoxy-6-propan-2-yloxy-2-(trifluoromethyl)pyrimidine
CID 86016338
6-(2,2-Difluoropropoxy)-5-fluoropyrimidin-4-amine
CID 123161731
4,6-Diethoxy-2-fluoro-5-methylpyrimidine
CID 129239001
1-[2,6-Diamino-5-(trifluoromethyl)pyrimidin-4-yl]oxypropane-1,2-diol
CID 174786419
2,4-Diamino-6-ethoxy-5-pyrimidinecarbonitrile
CID 12290582
6-Amino-5-cyano-2-cyanoimino-4-ethoxy-1h-pyrimidine
CID 132275649

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine?
The IUPAC name of 2,5-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine (CID 80878447) is 2,5-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine.
What is the SMILES notation for 2,5-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine?
The canonical SMILES for 2,5-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine is Cc1nc(N)c(C)c(OC(C)C(F)(F)F)n1.
What is the InChIKey of 2,5-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine?
The InChIKey is VWSNZSIEQPDEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-4-7(13)14-6(3)15-8(4)16-5(2)9(10,11)12/h5H,1-3H3,(H2,13,14,15).
What are the key properties of 2,5-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine?
2,5-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine has a molecular weight of 235.21 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine is sourced from PubChem (CID 80878447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).