N-(2,2-diethyloxan-4-yl)-4-(trifluoromethyl)pyrimidin-2-amine

C14H20F3N3O — CID 82765029

IUPACN-(2,2-diethyloxan-4-yl)-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCCC1(CC)CC(Nc2nccc(C(F)(F)F)n2)CCO1
InChIInChI=1S/C14H20F3N3O/c1-3-13(4-2)9-10(6-8-21-13)19-12-18-7-5-11(20-12)14(15,16)17/h5,7,10H,3-4,6,8-9H2,1-2H3,(H,18,19,20)
InChIKeyHVMTVWAMQJTNGM-UHFFFAOYSA-N
MW303.33 g/mol
LogP3.65
Rot. Bonds4

About N-(2,2-diethyloxan-4-yl)-4-(trifluoromethyl)pyrimidin-2-amine

N-(2,2-diethyloxan-4-yl)-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 82765029) has the molecular formula C14H20F3N3O and a molecular weight of 303.33 g/mol. Its IUPAC name is N-(2,2-diethyloxan-4-yl)-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2,2-diethyloxan-4-yl)-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID82765029
Molecular FormulaC14H20F3N3O
Molecular Weight303.33 g/mol
Exact Mass303.16
IUPAC NameN-(2,2-diethyloxan-4-yl)-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCCC1(CC)CC(Nc2nccc(C(F)(F)F)n2)CCO1
InChIInChI=1S/C14H20F3N3O/c1-3-13(4-2)9-10(6-8-21-13)19-12-18-7-5-11(20-12)14(15,16)17/h5,7,10H,3-4,6,8-9H2,1-2H3,(H,18,19,20)
InChIKeyHVMTVWAMQJTNGM-UHFFFAOYSA-N
XLogP3.65
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Piperidin-4-yloxy)-4-(trifluoromethyl)pyrimidine
CID 23133612
N-(tetrahydro-2H-pyran-4-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56863545
[2-[[4-(Trifluoromethyl)pyrimidin-2-yl]amino]cyclohexyl]methanol
CID 72004361
N-[3-(Cyclohexyloxy)propyl]-4-methylpyrimidin-2-amine
CID 72937406
3,3,5-Trimethyl-5-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol
CID 53344918
(+/-)-2-(((4-(Trifluoromethyl)pyrimidin-2-yl)oxy)methyl)-7-azabicyclo[2.2.1]heptane hydrochloride
CID 90411835
2-[[4-(Trifluoromethyl)pyrimidin-2-yl]oxymethyl]-7-azabicyclo[2.2.1]heptane
CID 90411836
4-[4-(Trifluoromethyl)pyrimidin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane
CID 134394865
(2R,3R,4R,5S)-2-propyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxane-3,4-diol
CID 167221610
(3R,4R,5S)-2-propyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxane-3,4-diol
CID 167491337
(2R,3R,4S,5S)-2-cyclobutyl-3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxan-4-ol
CID 170365918
(2R,3S,4R)-2-(propan-2-yloxymethyl)-5-[(E)-[4-(trifluoromethyl)pyrimidin-2-yl]iminomethyl]piperidine-3,4-diol
CID 171557406

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethyloxan-4-yl)-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-(2,2-diethyloxan-4-yl)-4-(trifluoromethyl)pyrimidin-2-amine (CID 82765029) is N-(2,2-diethyloxan-4-yl)-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-(2,2-diethyloxan-4-yl)-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-(2,2-diethyloxan-4-yl)-4-(trifluoromethyl)pyrimidin-2-amine is CCC1(CC)CC(Nc2nccc(C(F)(F)F)n2)CCO1.
What is the InChIKey of N-(2,2-diethyloxan-4-yl)-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is HVMTVWAMQJTNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O/c1-3-13(4-2)9-10(6-8-21-13)19-12-18-7-5-11(20-12)14(15,16)17/h5,7,10H,3-4,6,8-9H2,1-2H3,(H,18,19,20).
What are the key properties of N-(2,2-diethyloxan-4-yl)-4-(trifluoromethyl)pyrimidin-2-amine?
N-(2,2-diethyloxan-4-yl)-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 303.33 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethyloxan-4-yl)-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 82765029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).