4-N-(3,5-dimethylphenyl)-6-N-(3-methoxypropyl)-2-methylpyrimidine-4,6-diamine

C17H24N4O — CID 112869720

IUPAC4-N-(3,5-dimethylphenyl)-6-N-(3-methoxypropyl)-2-methylpyrimidine-4,6-diamine
SMILESCOCCCNc1cc(Nc2cc(C)cc(C)c2)nc(C)n1
InChIInChI=1S/C17H24N4O/c1-12-8-13(2)10-15(9-12)21-17-11-16(19-14(3)20-17)18-6-5-7-22-4/h8-11H,5-7H2,1-4H3,(H2,18,19,20,21)
InChIKeyMAELTGUUPAWCGI-UHFFFAOYSA-N
MW300.41 g/mol
LogP3.59
Rot. Bonds7

About 4-N-(3,5-dimethylphenyl)-6-N-(3-methoxypropyl)-2-methylpyrimidine-4,6-diamine

4-N-(3,5-dimethylphenyl)-6-N-(3-methoxypropyl)-2-methylpyrimidine-4,6-diamine (PubChem CID 112869720) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 4-N-(3,5-dimethylphenyl)-6-N-(3-methoxypropyl)-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3,5-dimethylphenyl)-6-N-(3-methoxypropyl)-2-methylpyrimidine-4,6-diamine
PubChem CID112869720
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name4-N-(3,5-dimethylphenyl)-6-N-(3-methoxypropyl)-2-methylpyrimidine-4,6-diamine
SMILESCOCCCNc1cc(Nc2cc(C)cc(C)c2)nc(C)n1
InChIInChI=1S/C17H24N4O/c1-12-8-13(2)10-15(9-12)21-17-11-16(19-14(3)20-17)18-6-5-7-22-4/h8-11H,5-7H2,1-4H3,(H2,18,19,20,21)
InChIKeyMAELTGUUPAWCGI-UHFFFAOYSA-N
XLogP3.59
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 53.59
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-[[6-(3-methoxypropylamino)-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113193213
1-[4-[[6-(3-methoxypropylamino)-2-methylpyrimidin-4-yl]amino]phenyl]ethanone
CID 112869764
6-N-(3-methoxypropyl)-2-methyl-4-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4,6-diamine
CID 112869774
4-N-(4-bromophenyl)-6-N-(2-methoxyethyl)-2-methylpyrimidine-4,6-diamine
CID 112869563
6-N-(2-methoxyethyl)-2-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 112869526
4-N-(2-tert-butylphenyl)-6-N-(3-methoxypropyl)-2-methylpyrimidine-4,6-diamine
CID 112869732
4-N-butan-2-yl-6-N-(3-methoxypropyl)-2-methylpyrimidine-4,6-diamine
CID 112868226
6-N-(3-methoxypropyl)-2-methyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112869661
6-N-[3-(dimethylamino)propyl]-4-N-(2-methoxyethyl)-2-methylpyrimidine-4,6-diamine
CID 112869453
6-(3-methoxypropylamino)-2-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109365060
6-(2-aminoethoxy)-N-(3-methoxypropyl)-2-methylpyrimidin-4-amine
CID 121206105
4-N-(3,4-dimethylphenyl)-6-N-(3-methoxypropyl)-2-phenylpyrimidine-4,6-diamine
CID 112880429

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,5-dimethylphenyl)-6-N-(3-methoxypropyl)-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3,5-dimethylphenyl)-6-N-(3-methoxypropyl)-2-methylpyrimidine-4,6-diamine (CID 112869720) is 4-N-(3,5-dimethylphenyl)-6-N-(3-methoxypropyl)-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3,5-dimethylphenyl)-6-N-(3-methoxypropyl)-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3,5-dimethylphenyl)-6-N-(3-methoxypropyl)-2-methylpyrimidine-4,6-diamine is COCCCNc1cc(Nc2cc(C)cc(C)c2)nc(C)n1.
What is the InChIKey of 4-N-(3,5-dimethylphenyl)-6-N-(3-methoxypropyl)-2-methylpyrimidine-4,6-diamine?
The InChIKey is MAELTGUUPAWCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-12-8-13(2)10-15(9-12)21-17-11-16(19-14(3)20-17)18-6-5-7-22-4/h8-11H,5-7H2,1-4H3,(H2,18,19,20,21).
What are the key properties of 4-N-(3,5-dimethylphenyl)-6-N-(3-methoxypropyl)-2-methylpyrimidine-4,6-diamine?
4-N-(3,5-dimethylphenyl)-6-N-(3-methoxypropyl)-2-methylpyrimidine-4,6-diamine has a molecular weight of 300.41 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,5-dimethylphenyl)-6-N-(3-methoxypropyl)-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 112869720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).