5-ethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine

C10H15F3N4 — CID 80847664

IUPAC5-ethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
SMILESCCc1c(N)ncnc1N(C)CCC(F)(F)F
InChIInChI=1S/C10H15F3N4/c1-3-7-8(14)15-6-16-9(7)17(2)5-4-10(11,12)13/h6H,3-5H2,1-2H3,(H2,14,15,16)
InChIKeyAVESQDHPZQJVKW-UHFFFAOYSA-N
MW248.25 g/mol
LogP2.01
Rot. Bonds4

About 5-ethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine

5-ethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine (PubChem CID 80847664) has the molecular formula C10H15F3N4 and a molecular weight of 248.25 g/mol. Its IUPAC name is 5-ethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-ethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
PubChem CID80847664
Molecular FormulaC10H15F3N4
Molecular Weight248.25 g/mol
Exact Mass248.12
IUPAC Name5-ethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
SMILESCCc1c(N)ncnc1N(C)CCC(F)(F)F
InChIInChI=1S/C10H15F3N4/c1-3-7-8(14)15-6-16-9(7)17(2)5-4-10(11,12)13/h6H,3-5H2,1-2H3,(H2,14,15,16)
InChIKeyAVESQDHPZQJVKW-UHFFFAOYSA-N
XLogP2.01
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-methyl-5-propan-2-yl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 80847885
4-N-butan-2-yl-5-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80776680
2-[(6-amino-5-ethylpyrimidin-4-yl)-methylamino]-N-methylacetamide
CID 80780164
5-ethyl-4-N-methyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
CID 80781371
4-N-butyl-4-N,5-diethylpyrimidine-4,6-diamine
CID 80754266
5-ethyl-4-N,4-N-bis(3-methylbutyl)pyrimidine-4,6-diamine
CID 107871762
4-N-(2-methoxyethyl)-4-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80795825
5-ethyl-4-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80811601
2-[(6-amino-5-ethylpyrimidin-4-yl)-propan-2-ylamino]ethanol
CID 80811308
3-[(6-amino-5-ethylpyrimidin-4-yl)-methylamino]butanenitrile
CID 80828255
2-[(6-amino-5-ethylpyrimidin-4-yl)-cyclopropylamino]ethanol
CID 80810039
6-chloro-2-N-methyl-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine
CID 115474266

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine?
The IUPAC name of 5-ethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine (CID 80847664) is 5-ethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 5-ethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine?
The canonical SMILES for 5-ethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine is CCc1c(N)ncnc1N(C)CCC(F)(F)F.
What is the InChIKey of 5-ethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine?
The InChIKey is AVESQDHPZQJVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4/c1-3-7-8(14)15-6-16-9(7)17(2)5-4-10(11,12)13/h6H,3-5H2,1-2H3,(H2,14,15,16).
What are the key properties of 5-ethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine?
5-ethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine has a molecular weight of 248.25 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80847664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).