4-N-[3-(diethylamino)propyl]-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine

C13H22F3N5 — CID 114563903

IUPAC4-N-[3-(diethylamino)propyl]-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCN(CC)CCCNc1cc(C(F)(F)F)nc(NC)n1
InChIInChI=1S/C13H22F3N5/c1-4-21(5-2)8-6-7-18-11-9-10(13(14,15)16)19-12(17-3)20-11/h9H,4-8H2,1-3H3,(H2,17,18,19,20)
InChIKeyUBBFADBXQKGRKE-UHFFFAOYSA-N
MW305.35 g/mol
LogP2.68
Rot. Bonds8

About 4-N-[3-(diethylamino)propyl]-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine

4-N-[3-(diethylamino)propyl]-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 114563903) has the molecular formula C13H22F3N5 and a molecular weight of 305.35 g/mol. Its IUPAC name is 4-N-[3-(diethylamino)propyl]-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[3-(diethylamino)propyl]-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID114563903
Molecular FormulaC13H22F3N5
Molecular Weight305.35 g/mol
Exact Mass305.18
IUPAC Name4-N-[3-(diethylamino)propyl]-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCN(CC)CCCNc1cc(C(F)(F)F)nc(NC)n1
InChIInChI=1S/C13H22F3N5/c1-4-21(5-2)8-6-7-18-11-9-10(13(14,15)16)19-12(17-3)20-11/h9H,4-8H2,1-3H3,(H2,17,18,19,20)
InChIKeyUBBFADBXQKGRKE-UHFFFAOYSA-N
XLogP2.68
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 52.68
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

4-N-(3,3-dimethylbutyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565969
4-N-[1-(diethylamino)propan-2-yl]-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564798
2-N-methyl-4-N-(3-methylsulfinylpropyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565868
N-methyl-2-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide
CID 106343260
2-tert-butyl-4-N-[3-(diethylamino)propyl]-6-N-methylpyrimidine-4,6-diamine
CID 80956860
N-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106043678
N-[2-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide
CID 114564127
N'-ethyl-N-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]-N'-methylethane-1,2-diamine
CID 114567188
2-methyl-1-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol
CID 114565294
2-hydrazinyl-N-(4-methylpentyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567205
4-N-[3-(diethylamino)propyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80777022
3-[[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pentan-1-ol
CID 114565499

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(diethylamino)propyl]-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[3-(diethylamino)propyl]-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 114563903) is 4-N-[3-(diethylamino)propyl]-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[3-(diethylamino)propyl]-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[3-(diethylamino)propyl]-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine is CCN(CC)CCCNc1cc(C(F)(F)F)nc(NC)n1.
What is the InChIKey of 4-N-[3-(diethylamino)propyl]-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is UBBFADBXQKGRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N5/c1-4-21(5-2)8-6-7-18-11-9-10(13(14,15)16)19-12(17-3)20-11/h9H,4-8H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 4-N-[3-(diethylamino)propyl]-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-[3-(diethylamino)propyl]-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 305.35 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(diethylamino)propyl]-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 114563903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).