4-N-(2-ethoxyethyl)-4-N-methyl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine

C13H21F3N4O — CID 114565531

IUPAC4-N-(2-ethoxyethyl)-4-N-methyl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCCNc1nc(N(C)CCOCC)cc(C(F)(F)F)n1
InChIInChI=1S/C13H21F3N4O/c1-4-6-17-12-18-10(13(14,15)16)9-11(19-12)20(3)7-8-21-5-2/h9H,4-8H2,1-3H3,(H,17,18,19)
InChIKeyPATPNFRAXOEAAI-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.79
Rot. Bonds8

About 4-N-(2-ethoxyethyl)-4-N-methyl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine

4-N-(2-ethoxyethyl)-4-N-methyl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 114565531) has the molecular formula C13H21F3N4O and a molecular weight of 306.33 g/mol. Its IUPAC name is 4-N-(2-ethoxyethyl)-4-N-methyl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-ethoxyethyl)-4-N-methyl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID114565531
Molecular FormulaC13H21F3N4O
Molecular Weight306.33 g/mol
Exact Mass306.17
IUPAC Name4-N-(2-ethoxyethyl)-4-N-methyl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCCNc1nc(N(C)CCOCC)cc(C(F)(F)F)n1
InChIInChI=1S/C13H21F3N4O/c1-4-6-17-12-18-10(13(14,15)16)9-11(19-12)20(3)7-8-21-5-2/h9H,4-8H2,1-3H3,(H,17,18,19)
InChIKeyPATPNFRAXOEAAI-UHFFFAOYSA-N
XLogP2.79
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.79
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-[2-(dimethylamino)ethyl]-4-N-methyl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565088
1-[methyl-[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol
CID 114564867
2-N-ethyl-4-N-methyl-4-N-pentyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564013
4-N-cyclobutyl-4-N-methyl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565958
2-[cyclopropyl-[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
CID 114564596
4-N-(2-ethoxyethyl)-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 81068419
4-(2-methoxyethoxy)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566221
4-(2-methylbutan-2-yloxy)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566168
5-bromo-4-N-(2-ethoxyethyl)-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 81068013
4-(3-methoxypropylsulfanyl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566851
4-(5-methylthiophen-3-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563363
4-N-(2,2-dimethylcyclopropyl)-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564776

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethoxyethyl)-4-N-methyl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-ethoxyethyl)-4-N-methyl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 114565531) is 4-N-(2-ethoxyethyl)-4-N-methyl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-ethoxyethyl)-4-N-methyl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-ethoxyethyl)-4-N-methyl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine is CCCNc1nc(N(C)CCOCC)cc(C(F)(F)F)n1.
What is the InChIKey of 4-N-(2-ethoxyethyl)-4-N-methyl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is PATPNFRAXOEAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N4O/c1-4-6-17-12-18-10(13(14,15)16)9-11(19-12)20(3)7-8-21-5-2/h9H,4-8H2,1-3H3,(H,17,18,19).
What are the key properties of 4-N-(2-ethoxyethyl)-4-N-methyl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-(2-ethoxyethyl)-4-N-methyl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 306.33 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethoxyethyl)-4-N-methyl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 114565531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).