N,2-diethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine

C11H16F3N3O — CID 80942175

IUPACN,2-diethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine
SMILESCCNc1cc(OC(C)C(F)(F)F)nc(CC)n1
InChIInChI=1S/C11H16F3N3O/c1-4-8-16-9(15-5-2)6-10(17-8)18-7(3)11(12,13)14/h6-7H,4-5H2,1-3H3,(H,15,16,17)
InChIKeyWVXJRPKIVKOGSU-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.80
Rot. Bonds5

About N,2-diethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine

N,2-diethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine (PubChem CID 80942175) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is N,2-diethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine.

Molecular Properties

Compound NameN,2-diethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine
PubChem CID80942175
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC NameN,2-diethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine
SMILESCCNc1cc(OC(C)C(F)(F)F)nc(CC)n1
InChIInChI=1S/C11H16F3N3O/c1-4-8-16-9(15-5-2)6-10(17-8)18-7(3)11(12,13)14/h6-7H,4-5H2,1-3H3,(H,15,16,17)
InChIKeyWVXJRPKIVKOGSU-UHFFFAOYSA-N
XLogP2.80
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-N-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine
CID 80942176
N,2-diethyl-6-(4-methylpentan-2-yloxy)pyrimidin-4-amine
CID 80942333
4-chloro-2-ethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine
CID 80943695
N,2-diethyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
CID 80942434
N-ethyl-6-methyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)pyrimidin-4-amine
CID 80654868
2-methylsulfanyl-N-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine
CID 80877951
4-N-ethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrimidine-2,4-diamine
CID 102723665
2-ethyl-6-pentan-2-yloxy-N-propylpyrimidin-4-amine
CID 102989348
6-N,2-diethyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 80935204
6-N,2-diethyl-4-N-(1-methoxypropan-2-yl)pyrimidine-4,6-diamine
CID 80933516
6-(1-ethoxypropan-2-yloxy)-N-ethyl-2-propylpyrimidin-4-amine
CID 103491671
6-[(E)-but-2-enoxy]-N,2-diethylpyrimidin-4-amine
CID 80941264

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine?
The IUPAC name of N,2-diethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine (CID 80942175) is N,2-diethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine.
What is the SMILES notation for N,2-diethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine?
The canonical SMILES for N,2-diethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine is CCNc1cc(OC(C)C(F)(F)F)nc(CC)n1.
What is the InChIKey of N,2-diethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine?
The InChIKey is WVXJRPKIVKOGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-4-8-16-9(15-5-2)6-10(17-8)18-7(3)11(12,13)14/h6-7H,4-5H2,1-3H3,(H,15,16,17).
What are the key properties of N,2-diethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine?
N,2-diethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine has a molecular weight of 263.26 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine is sourced from PubChem (CID 80942175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).