6-N-methyl-5-propyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine

C12H19F3N4O — CID 80845775

IUPAC6-N-methyl-5-propyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine
SMILESCCCc1c(NC)ncnc1NCCOCC(F)(F)F
InChIInChI=1S/C12H19F3N4O/c1-3-4-9-10(16-2)18-8-19-11(9)17-5-6-20-7-12(13,14)15/h8H,3-7H2,1-2H3,(H2,16,17,18,19)
InChIKeyOPMWNLSDXAIJFO-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.46
Rot. Bonds8

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

6-N-methyl-5-propyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine (PubChem CID 80845775) has the molecular formula C12H19F3N4O and a molecular weight of 292.31 g/mol. Its IUPAC name is 6-N-methyl-5-propyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-5-propyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine
PubChem CID80845775
Molecular FormulaC12H19F3N4O
Molecular Weight292.31 g/mol
Exact Mass292.15
IUPAC Name6-N-methyl-5-propyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine
SMILESCCCc1c(NC)ncnc1NCCOCC(F)(F)F
InChIInChI=1S/C12H19F3N4O/c1-3-4-9-10(16-2)18-8-19-11(9)17-5-6-20-7-12(13,14)15/h8H,3-7H2,1-2H3,(H2,16,17,18,19)
InChIKeyOPMWNLSDXAIJFO-UHFFFAOYSA-N
XLogP2.46
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-(1,4-oxazepan-6-ylmethyl)-5-propylpyrimidin-4-amine
CID 56888262
6-chloro-5-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
CID 63833544
6-chloro-5-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
CID 63834076
6-chloro-5-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
CID 63834432
5-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80784895
6-N-methyl-5-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80786064
6-N-ethyl-5-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80786065
5-ethyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80786211
6-N,5-dipropyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80786332
6-N-ethyl-4-N-propan-2-yl-5-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80789097
4-N-cyclopropyl-6-N-ethyl-5-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80789433
6-N-ethyl-4-N,5-dipropyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80789792

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-5-propyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-methyl-5-propyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine (CID 80845775) is 6-N-methyl-5-propyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-methyl-5-propyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-methyl-5-propyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine is CCCc1c(NC)ncnc1NCCOCC(F)(F)F.
What is the InChIKey of 6-N-methyl-5-propyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine?
The InChIKey is OPMWNLSDXAIJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4O/c1-3-4-9-10(16-2)18-8-19-11(9)17-5-6-20-7-12(13,14)15/h8H,3-7H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 6-N-methyl-5-propyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine?
6-N-methyl-5-propyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine has a molecular weight of 292.31 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-5-propyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80845775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).