2-methyl-4-N-[1-(2-methylphenyl)ethyl]-6-N-propylpyrimidine-4,6-diamine

C17H24N4 — CID 80783678

IUPAC2-methyl-4-N-[1-(2-methylphenyl)ethyl]-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NC(C)c2ccccc2C)nc(C)n1
InChIInChI=1S/C17H24N4/c1-5-10-18-16-11-17(21-14(4)20-16)19-13(3)15-9-7-6-8-12(15)2/h6-9,11,13H,5,10H2,1-4H3,(H2,18,19,20,21)
InChIKeyWRIQJIHVAGCCKP-UHFFFAOYSA-N
MW284.41 g/mol
LogP4.09
Rot. Bonds6

About 2-methyl-4-N-[1-(2-methylphenyl)ethyl]-6-N-propylpyrimidine-4,6-diamine

2-methyl-4-N-[1-(2-methylphenyl)ethyl]-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80783678) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 2-methyl-4-N-[1-(2-methylphenyl)ethyl]-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-methyl-4-N-[1-(2-methylphenyl)ethyl]-6-N-propylpyrimidine-4,6-diamine
PubChem CID80783678
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name2-methyl-4-N-[1-(2-methylphenyl)ethyl]-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NC(C)c2ccccc2C)nc(C)n1
InChIInChI=1S/C17H24N4/c1-5-10-18-16-11-17(21-14(4)20-16)19-13(3)15-9-7-6-8-12(15)2/h6-9,11,13H,5,10H2,1-4H3,(H2,18,19,20,21)
InChIKeyWRIQJIHVAGCCKP-UHFFFAOYSA-N
XLogP4.09
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[1-(2-methylphenyl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80783031
2-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine
CID 80800955
2-methyl-4-N-(2-methyl-6-propan-2-ylphenyl)-6-N-propylpyrimidine-4,6-diamine
CID 112867245
4-N-[1-(3-chlorophenyl)ethyl]-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80784552
2-methyl-4-N-(1-phenylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80798243
2-methyl-6-N-propyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine
CID 80824404
6-chloro-2-N-[1-(2-methylphenyl)ethyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80783674
3-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 83180781
5-methyl-4-N-[1-(2-methylphenyl)ethyl]-6-N-propylpyrimidine-4,6-diamine
CID 80783795
6-chloro-2-methyl-N-propylpyrimidin-4-amine
CID 11074100
2-methyl-4-N-(4-methylpentyl)-6-N-propylpyrimidine-4,6-diamine
CID 80831566
4-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol
CID 80852528

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-N-[1-(2-methylphenyl)ethyl]-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 2-methyl-4-N-[1-(2-methylphenyl)ethyl]-6-N-propylpyrimidine-4,6-diamine (CID 80783678) is 2-methyl-4-N-[1-(2-methylphenyl)ethyl]-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-methyl-4-N-[1-(2-methylphenyl)ethyl]-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 2-methyl-4-N-[1-(2-methylphenyl)ethyl]-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(NC(C)c2ccccc2C)nc(C)n1.
What is the InChIKey of 2-methyl-4-N-[1-(2-methylphenyl)ethyl]-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is WRIQJIHVAGCCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-5-10-18-16-11-17(21-14(4)20-16)19-13(3)15-9-7-6-8-12(15)2/h6-9,11,13H,5,10H2,1-4H3,(H2,18,19,20,21).
What are the key properties of 2-methyl-4-N-[1-(2-methylphenyl)ethyl]-6-N-propylpyrimidine-4,6-diamine?
2-methyl-4-N-[1-(2-methylphenyl)ethyl]-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 284.41 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-N-[1-(2-methylphenyl)ethyl]-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80783678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).