6-N-[4-[3-(dimethylamino)propoxy]phenyl]-4-N-(3-methylphenyl)pyrimidine-4,6-diamine

C22H27N5O — CID 67015129

IUPAC6-N-[4-[3-(dimethylamino)propoxy]phenyl]-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
SMILESCc1cccc(Nc2cc(Nc3ccc(OCCCN(C)C)cc3)ncn2)c1
InChIInChI=1S/C22H27N5O/c1-17-6-4-7-19(14-17)26-22-15-21(23-16-24-22)25-18-8-10-20(11-9-18)28-13-5-12-27(2)3/h4,6-11,14-16H,5,12-13H2,1-3H3,(H2,23,24,25,26)
InChIKeyUCJACPRATMTWGU-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.60
Rot. Bonds9

About 6-N-[4-[3-(dimethylamino)propoxy]phenyl]-4-N-(3-methylphenyl)pyrimidine-4,6-diamine

6-N-[4-[3-(dimethylamino)propoxy]phenyl]-4-N-(3-methylphenyl)pyrimidine-4,6-diamine (PubChem CID 67015129) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 6-N-[4-[3-(dimethylamino)propoxy]phenyl]-4-N-(3-methylphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[4-[3-(dimethylamino)propoxy]phenyl]-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
PubChem CID67015129
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name6-N-[4-[3-(dimethylamino)propoxy]phenyl]-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
SMILESCc1cccc(Nc2cc(Nc3ccc(OCCCN(C)C)cc3)ncn2)c1
InChIInChI=1S/C22H27N5O/c1-17-6-4-7-19(14-17)26-22-15-21(23-16-24-22)25-18-8-10-20(11-9-18)28-13-5-12-27(2)3/h4,6-11,14-16H,5,12-13H2,1-3H3,(H2,23,24,25,26)
InChIKeyUCJACPRATMTWGU-UHFFFAOYSA-N
XLogP4.60
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[4-[[6-(3-methylanilino)pyrimidin-4-yl]amino]phenoxy]propan-1-ol
CID 70187799
6-N-(4-methoxyphenyl)-2-methyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 112877038
6-N-[3-(dimethylamino)propyl]-4-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine
CID 112857798
N-[2-(4-methoxyphenoxy)ethyl]-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 109353678
6-N-[3-(dimethylamino)propyl]-4-N-(3,5-dimethylphenyl)pyrimidine-4,6-diamine
CID 112857799
N-methyl-3-[[6-[4-[2-(methylamino)ethoxy]anilino]pyrimidin-4-yl]amino]benzenesulfonamide
CID 177005071
4-N-(3,5-dimethylphenyl)-6-N-(4-methoxyphenyl)pyrimidine-4,6-diamine
CID 112865267
4-N-(2-bromophenyl)-6-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 112864909
6-hydrazinyl-N-(4-propoxyphenyl)pyrimidin-4-amine
CID 80907992
6-N-[4-(dimethylamino)phenyl]-4-N-(4-ethoxyphenyl)pyrimidine-4,6-diamine
CID 112866338
4-N-(3-methylphenyl)-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112863578
1-[3-[[6-[3-(dimethylamino)propylamino]pyrimidin-4-yl]amino]phenyl]ethanone
CID 112857842

Frequently Asked Questions

What is the IUPAC name of 6-N-[4-[3-(dimethylamino)propoxy]phenyl]-4-N-(3-methylphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-[4-[3-(dimethylamino)propoxy]phenyl]-4-N-(3-methylphenyl)pyrimidine-4,6-diamine (CID 67015129) is 6-N-[4-[3-(dimethylamino)propoxy]phenyl]-4-N-(3-methylphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[4-[3-(dimethylamino)propoxy]phenyl]-4-N-(3-methylphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[4-[3-(dimethylamino)propoxy]phenyl]-4-N-(3-methylphenyl)pyrimidine-4,6-diamine is Cc1cccc(Nc2cc(Nc3ccc(OCCCN(C)C)cc3)ncn2)c1.
What is the InChIKey of 6-N-[4-[3-(dimethylamino)propoxy]phenyl]-4-N-(3-methylphenyl)pyrimidine-4,6-diamine?
The InChIKey is UCJACPRATMTWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-17-6-4-7-19(14-17)26-22-15-21(23-16-24-22)25-18-8-10-20(11-9-18)28-13-5-12-27(2)3/h4,6-11,14-16H,5,12-13H2,1-3H3,(H2,23,24,25,26).
What are the key properties of 6-N-[4-[3-(dimethylamino)propoxy]phenyl]-4-N-(3-methylphenyl)pyrimidine-4,6-diamine?
6-N-[4-[3-(dimethylamino)propoxy]phenyl]-4-N-(3-methylphenyl)pyrimidine-4,6-diamine has a molecular weight of 377.49 g/mol, XLogP of 4.60, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[4-[3-(dimethylamino)propoxy]phenyl]-4-N-(3-methylphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 67015129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).