5-ethyl-6-methyl-N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine

C14H22F3N3O — CID 103150294

IUPAC5-ethyl-6-methyl-N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
SMILESCCCNc1nc(CCOCC(F)(F)F)nc(C)c1CC
InChIInChI=1S/C14H22F3N3O/c1-4-7-18-13-11(5-2)10(3)19-12(20-13)6-8-21-9-14(15,16)17/h4-9H2,1-3H3,(H,18,19,20)
InChIKeyMBCJEKAEZWJCKO-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.29
Rot. Bonds8

About 5-ethyl-6-methyl-N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine

5-ethyl-6-methyl-N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine (PubChem CID 103150294) has the molecular formula C14H22F3N3O and a molecular weight of 305.34 g/mol. Its IUPAC name is 5-ethyl-6-methyl-N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-6-methyl-N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
PubChem CID103150294
Molecular FormulaC14H22F3N3O
Molecular Weight305.34 g/mol
Exact Mass305.17
IUPAC Name5-ethyl-6-methyl-N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
SMILESCCCNc1nc(CCOCC(F)(F)F)nc(C)c1CC
InChIInChI=1S/C14H22F3N3O/c1-4-7-18-13-11(5-2)10(3)19-12(20-13)6-8-21-9-14(15,16)17/h4-9H2,1-3H3,(H,18,19,20)
InChIKeyMBCJEKAEZWJCKO-UHFFFAOYSA-N
XLogP3.29
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-ethyl-N,6-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
CID 103150290
2-[2-(2,2-difluoroethoxy)ethyl]-5-ethyl-6-methyl-N-propylpyrimidin-4-amine
CID 103150293
2,5-diethyl-6-methyl-N-propylpyrimidin-4-amine
CID 62191968
N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 103150246
2-[2-(2,2-difluoroethoxy)ethyl]-N,5-diethyl-6-methylpyrimidin-4-amine
CID 103150291
N,5-diethyl-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 79964245
3-[4,6-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-5-yl]propan-1-amine
CID 103150794
2-ethyl-5-methyl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
CID 80988030
N,5-diethyl-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 62191430
2-ethyl-5-methyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine
CID 80984168
5-bromo-2-[2-(2,2-difluoroethoxy)ethyl]-6-methyl-N-propylpyrimidin-4-amine
CID 103150375
5-ethyl-2-(2-methoxypropan-2-yl)-6-methyl-N-propylpyrimidin-4-amine
CID 79197133

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-methyl-N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
The IUPAC name of 5-ethyl-6-methyl-N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine (CID 103150294) is 5-ethyl-6-methyl-N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-6-methyl-N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
The canonical SMILES for 5-ethyl-6-methyl-N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine is CCCNc1nc(CCOCC(F)(F)F)nc(C)c1CC.
What is the InChIKey of 5-ethyl-6-methyl-N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
The InChIKey is MBCJEKAEZWJCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3O/c1-4-7-18-13-11(5-2)10(3)19-12(20-13)6-8-21-9-14(15,16)17/h4-9H2,1-3H3,(H,18,19,20).
What are the key properties of 5-ethyl-6-methyl-N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
5-ethyl-6-methyl-N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine has a molecular weight of 305.34 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-methyl-N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 103150294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).