4-N-[2-(cyclopropylmethoxy)ethyl]-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine

C12H17F3N4O — CID 106772544

IUPAC4-N-[2-(cyclopropylmethoxy)ethyl]-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCN(CCOCC1CC1)c1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C12H17F3N4O/c1-19(4-5-20-7-8-2-3-8)10-6-9(16)17-11(18-10)12(13,14)15/h6,8H,2-5,7H2,1H3,(H2,16,17,18)
InChIKeyRSEAZFCLUICLSR-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.94
Rot. Bonds6

About 4-N-[2-(cyclopropylmethoxy)ethyl]-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine

4-N-[2-(cyclopropylmethoxy)ethyl]-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine (PubChem CID 106772544) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is 4-N-[2-(cyclopropylmethoxy)ethyl]-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-(cyclopropylmethoxy)ethyl]-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
PubChem CID106772544
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name4-N-[2-(cyclopropylmethoxy)ethyl]-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCN(CCOCC1CC1)c1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C12H17F3N4O/c1-19(4-5-20-7-8-2-3-8)10-6-9(16)17-11(18-10)12(13,14)15/h6,8H,2-5,7H2,1H3,(H2,16,17,18)
InChIKeyRSEAZFCLUICLSR-UHFFFAOYSA-N
XLogP1.94
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-N-methyl-4-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770641
4-N-butyl-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106769909
2-tert-butyl-4-N-(2-methoxyethyl)-4-N-methylpyrimidine-4,6-diamine
CID 80961639
2-tert-butyl-4-N-(cyclopropylmethyl)-4-N-methylpyrimidine-4,6-diamine
CID 80967726
4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772433
2-[2-(cyclopropylmethoxy)ethyl-methylamino]-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 137013624
5-N-[2-(cyclopropylmethoxy)ethyl]-5-N-methylpyridine-3,5-diamine
CID 104535382
4-N-methyl-4-N-(2-thiophen-2-ylethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772464
6-[2-(dimethylamino)ethoxy]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774322
4-N-[(4-fluorophenyl)methyl]-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771038
2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-methylacetamide
CID 106770720
N-(cyclopropylmethyl)-6-hydrazinyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775417

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(cyclopropylmethoxy)ethyl]-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-[2-(cyclopropylmethoxy)ethyl]-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine (CID 106772544) is 4-N-[2-(cyclopropylmethoxy)ethyl]-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[2-(cyclopropylmethoxy)ethyl]-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[2-(cyclopropylmethoxy)ethyl]-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine is CN(CCOCC1CC1)c1cc(N)nc(C(F)(F)F)n1.
What is the InChIKey of 4-N-[2-(cyclopropylmethoxy)ethyl]-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The InChIKey is RSEAZFCLUICLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-19(4-5-20-7-8-2-3-8)10-6-9(16)17-11(18-10)12(13,14)15/h6,8H,2-5,7H2,1H3,(H2,16,17,18).
What are the key properties of 4-N-[2-(cyclopropylmethoxy)ethyl]-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
4-N-[2-(cyclopropylmethoxy)ethyl]-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine has a molecular weight of 290.29 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(cyclopropylmethoxy)ethyl]-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106772544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).