4-N-(2,6-diethylphenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine

C18H26N4 — CID 112867244

IUPAC4-N-(2,6-diethylphenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(Nc2c(CC)cccc2CC)nc(C)n1
InChIInChI=1S/C18H26N4/c1-5-11-19-16-12-17(21-13(4)20-16)22-18-14(6-2)9-8-10-15(18)7-3/h8-10,12H,5-7,11H2,1-4H3,(H2,19,20,21,22)
InChIKeyZWPDFGASGSWDEK-UHFFFAOYSA-N
MW298.43 g/mol
LogP4.48
Rot. Bonds7

About 4-N-(2,6-diethylphenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine

4-N-(2,6-diethylphenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 112867244) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is 4-N-(2,6-diethylphenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,6-diethylphenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
PubChem CID112867244
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC Name4-N-(2,6-diethylphenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(Nc2c(CC)cccc2CC)nc(C)n1
InChIInChI=1S/C18H26N4/c1-5-11-19-16-12-17(21-13(4)20-16)22-18-14(6-2)9-8-10-15(18)7-3/h8-10,12H,5-7,11H2,1-4H3,(H2,19,20,21,22)
InChIKeyZWPDFGASGSWDEK-UHFFFAOYSA-N
XLogP4.48
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-cyclopropyl-6-N-(2,6-diethylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112867547
2-methyl-4-N-(2-methyl-6-propan-2-ylphenyl)-6-N-propylpyrimidine-4,6-diamine
CID 112867245
6-N-(2,6-diethylphenyl)-4-N,4-N-diethyl-2-methylpyrimidine-4,6-diamine
CID 112875670
2-N-(2-ethyl-6-methylphenyl)-6-methyl-4-N-propylpyrimidine-2,4-diamine
CID 112906911
4-N-(3-bromo-2-methylphenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 107638809
4-N-[(2-bromophenyl)methyl]-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80794152
4-N-(2-ethyl-6-methylphenyl)-6-N-(furan-2-ylmethyl)-2-methylpyrimidine-4,6-diamine
CID 112871395
2-methyl-4-N-(1-methylpyrazol-3-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80849853
2-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80822100
2-methyl-6-N-propyl-4-N-thiophen-3-ylpyrimidine-4,6-diamine
CID 80851272
N-butan-2-yl-6-(2,6-diethylanilino)-2-methylpyrimidine-4-carboxamide
CID 109362604
6-N-[3-(dimethylamino)propyl]-4-N-(2-ethylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112870595

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,6-diethylphenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,6-diethylphenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine (CID 112867244) is 4-N-(2,6-diethylphenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,6-diethylphenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,6-diethylphenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(Nc2c(CC)cccc2CC)nc(C)n1.
What is the InChIKey of 4-N-(2,6-diethylphenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is ZWPDFGASGSWDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4/c1-5-11-19-16-12-17(21-13(4)20-16)22-18-14(6-2)9-8-10-15(18)7-3/h8-10,12H,5-7,11H2,1-4H3,(H2,19,20,21,22).
What are the key properties of 4-N-(2,6-diethylphenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine?
4-N-(2,6-diethylphenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 298.43 g/mol, XLogP of 4.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,6-diethylphenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 112867244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).