6-methyl-N-propyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)pyrimidin-4-amine

C12H18F3N3O — CID 80654941

IUPAC6-methyl-N-propyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)pyrimidin-4-amine
SMILESCCCNc1cc(C)nc(COC(C)C(F)(F)F)n1
InChIInChI=1S/C12H18F3N3O/c1-4-5-16-10-6-8(2)17-11(18-10)7-19-9(3)12(13,14)15/h6,9H,4-5,7H2,1-3H3,(H,16,17,18)
InChIKeySLDSMJIORZAPRU-UHFFFAOYSA-N
MW277.29 g/mol
LogP3.07
Rot. Bonds6

About 6-methyl-N-propyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)pyrimidin-4-amine

6-methyl-N-propyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)pyrimidin-4-amine (PubChem CID 80654941) has the molecular formula C12H18F3N3O and a molecular weight of 277.29 g/mol. Its IUPAC name is 6-methyl-N-propyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-propyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)pyrimidin-4-amine
PubChem CID80654941
Molecular FormulaC12H18F3N3O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC Name6-methyl-N-propyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)pyrimidin-4-amine
SMILESCCCNc1cc(C)nc(COC(C)C(F)(F)F)n1
InChIInChI=1S/C12H18F3N3O/c1-4-5-16-10-6-8(2)17-11(18-10)7-19-9(3)12(13,14)15/h6,9H,4-5,7H2,1-3H3,(H,16,17,18)
InChIKeySLDSMJIORZAPRU-UHFFFAOYSA-N
XLogP3.07
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-6-methyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)pyrimidin-4-amine
CID 80654868
2-(1-ethoxypropan-2-yloxymethyl)-6-methyl-N-propylpyrimidin-4-amine
CID 103490268
6-methyl-N,2-dipropylpyrimidin-4-amine
CID 6460821
6-methyl-2-(phenylmethoxymethyl)-N-propylpyrimidin-4-amine
CID 80654123
2-[(3-chloro-4-fluorophenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 80664925
6-methyl-2-[[methyl(pentan-3-yl)amino]methyl]-N-propylpyrimidin-4-amine
CID 80657535
6-methyl-2-[(2-methylphenoxy)methyl]-N-propylpyrimidin-4-amine
CID 80654286
6-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 43395265
2-[(5-bromo-2-fluorophenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 114676651
2-[(5-bromo-2-methylphenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 107285486
2-[(3-chloro-2-fluorophenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 116689913
6-methyl-2-[[methyl(propyl)amino]methyl]-N-propylpyrimidin-4-amine
CID 80657528

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-propyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)pyrimidin-4-amine?
The IUPAC name of 6-methyl-N-propyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)pyrimidin-4-amine (CID 80654941) is 6-methyl-N-propyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-propyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)pyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-propyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)pyrimidin-4-amine is CCCNc1cc(C)nc(COC(C)C(F)(F)F)n1.
What is the InChIKey of 6-methyl-N-propyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)pyrimidin-4-amine?
The InChIKey is SLDSMJIORZAPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O/c1-4-5-16-10-6-8(2)17-11(18-10)7-19-9(3)12(13,14)15/h6,9H,4-5,7H2,1-3H3,(H,16,17,18).
What are the key properties of 6-methyl-N-propyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)pyrimidin-4-amine?
6-methyl-N-propyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)pyrimidin-4-amine has a molecular weight of 277.29 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-propyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 80654941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).