N,5-diethyl-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine

C12H18F3N3 — CID 79964245

IUPACN,5-diethyl-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine
SMILESCCNc1nc(CCC(F)(F)F)nc(C)c1CC
InChIInChI=1S/C12H18F3N3/c1-4-9-8(3)17-10(6-7-12(13,14)15)18-11(9)16-5-2/h4-7H2,1-3H3,(H,16,17,18)
InChIKeyRFKOLHFWXBGTNC-UHFFFAOYSA-N
MW261.29 g/mol
LogP3.27
Rot. Bonds5

About N,5-diethyl-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine

N,5-diethyl-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine (PubChem CID 79964245) has the molecular formula C12H18F3N3 and a molecular weight of 261.29 g/mol. Its IUPAC name is N,5-diethyl-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,5-diethyl-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine
PubChem CID79964245
Molecular FormulaC12H18F3N3
Molecular Weight261.29 g/mol
Exact Mass261.15
IUPAC NameN,5-diethyl-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine
SMILESCCNc1nc(CCC(F)(F)F)nc(C)c1CC
InChIInChI=1S/C12H18F3N3/c1-4-9-8(3)17-10(6-7-12(13,14)15)18-11(9)16-5-2/h4-7H2,1-3H3,(H,16,17,18)
InChIKeyRFKOLHFWXBGTNC-UHFFFAOYSA-N
XLogP3.27
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,5-diethyl-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 62191430
2-[2-(diethylamino)ethyl]-N,5-diethyl-6-methylpyrimidin-4-amine
CID 62191965
3-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-ethylpropan-1-amine
CID 79965289
2-[2-(2,2-difluoroethoxy)ethyl]-N,5-diethyl-6-methylpyrimidin-4-amine
CID 103150291
5-ethyl-6-methyl-N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
CID 103150294
5-ethyl-N,6-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
CID 103150290
5-fluoro-N,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 79963994
[5,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]hydrazine
CID 79964597
2-butyl-5-ethyl-N,6-dimethylpyrimidin-4-amine
CID 79412709
2,5-diethyl-6-methyl-N-propylpyrimidin-4-amine
CID 62191968
2-(cyclohexylsulfanylmethyl)-N,5-diethyl-6-methylpyrimidin-4-amine
CID 65144312
[2-(2,2-dimethylpropyl)-5-ethyl-6-methylpyrimidin-4-yl]hydrazine
CID 63890900

Frequently Asked Questions

What is the IUPAC name of N,5-diethyl-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
The IUPAC name of N,5-diethyl-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine (CID 79964245) is N,5-diethyl-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine.
What is the SMILES notation for N,5-diethyl-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
The canonical SMILES for N,5-diethyl-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine is CCNc1nc(CCC(F)(F)F)nc(C)c1CC.
What is the InChIKey of N,5-diethyl-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
The InChIKey is RFKOLHFWXBGTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3/c1-4-9-8(3)17-10(6-7-12(13,14)15)18-11(9)16-5-2/h4-7H2,1-3H3,(H,16,17,18).
What are the key properties of N,5-diethyl-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
N,5-diethyl-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine has a molecular weight of 261.29 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-diethyl-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine is sourced from PubChem (CID 79964245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).