6-N-[3-(dimethylamino)propyl]-4-N-(3-methoxyphenyl)-2-phenylpyrimidine-4,6-diamine

C22H27N5O — CID 112880900

IUPAC6-N-[3-(dimethylamino)propyl]-4-N-(3-methoxyphenyl)-2-phenylpyrimidine-4,6-diamine
SMILESCOc1cccc(Nc2cc(NCCCN(C)C)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C22H27N5O/c1-27(2)14-8-13-23-20-16-21(24-18-11-7-12-19(15-18)28-3)26-22(25-20)17-9-5-4-6-10-17/h4-7,9-12,15-16H,8,13-14H2,1-3H3,(H2,23,24,25,26)
InChIKeyJNNNJVQPIHIOCB-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.26
Rot. Bonds9

About 6-N-[3-(dimethylamino)propyl]-4-N-(3-methoxyphenyl)-2-phenylpyrimidine-4,6-diamine

6-N-[3-(dimethylamino)propyl]-4-N-(3-methoxyphenyl)-2-phenylpyrimidine-4,6-diamine (PubChem CID 112880900) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 6-N-[3-(dimethylamino)propyl]-4-N-(3-methoxyphenyl)-2-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[3-(dimethylamino)propyl]-4-N-(3-methoxyphenyl)-2-phenylpyrimidine-4,6-diamine
PubChem CID112880900
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name6-N-[3-(dimethylamino)propyl]-4-N-(3-methoxyphenyl)-2-phenylpyrimidine-4,6-diamine
SMILESCOc1cccc(Nc2cc(NCCCN(C)C)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C22H27N5O/c1-27(2)14-8-13-23-20-16-21(24-18-11-7-12-19(15-18)28-3)26-22(25-20)17-9-5-4-6-10-17/h4-7,9-12,15-16H,8,13-14H2,1-3H3,(H2,23,24,25,26)
InChIKeyJNNNJVQPIHIOCB-UHFFFAOYSA-N
XLogP4.26
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 ≤ 54.26
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

4-N-[3-(dimethylamino)propyl]-2-N-(3-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112936139
4-N-(3-methoxyphenyl)-2-phenyl-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112879665
4-N-(2,6-difluorophenyl)-6-N-[3-(dimethylamino)propyl]-2-phenylpyrimidine-4,6-diamine
CID 112880917
N-butyl-6-(3-methoxyanilino)-N-methyl-2-phenylpyrimidine-4-carboxamide
CID 112854404
4-N-(4-chloro-2-methylphenyl)-6-N-[3-(dimethylamino)propyl]-2-phenylpyrimidine-4,6-diamine
CID 112880896
6-N-butyl-4-N-(2,4-dimethoxyphenyl)-2-phenylpyrimidine-4,6-diamine
CID 112879752
4-N-(3-bromophenyl)-6-N-(2-methoxyethyl)-2-phenylpyrimidine-4,6-diamine
CID 112880351
4-N-(3,4-dimethylphenyl)-6-N-(3-methoxypropyl)-2-phenylpyrimidine-4,6-diamine
CID 112880429
6-anilino-N-[3-(dimethylamino)propyl]-2-phenylpyrimidine-4-carboxamide
CID 112853763
4-N-(3-methoxyphenyl)-2-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine
CID 112935328
methyl 3-[[2-phenyl-6-(propylamino)pyrimidin-4-yl]amino]benzoate
CID 112879265
methyl 3-[[6-(2-methoxyethylamino)-2-phenylpyrimidin-4-yl]amino]benzoate
CID 112880344

Frequently Asked Questions

What is the IUPAC name of 6-N-[3-(dimethylamino)propyl]-4-N-(3-methoxyphenyl)-2-phenylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-[3-(dimethylamino)propyl]-4-N-(3-methoxyphenyl)-2-phenylpyrimidine-4,6-diamine (CID 112880900) is 6-N-[3-(dimethylamino)propyl]-4-N-(3-methoxyphenyl)-2-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[3-(dimethylamino)propyl]-4-N-(3-methoxyphenyl)-2-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[3-(dimethylamino)propyl]-4-N-(3-methoxyphenyl)-2-phenylpyrimidine-4,6-diamine is COc1cccc(Nc2cc(NCCCN(C)C)nc(-c3ccccc3)n2)c1.
What is the InChIKey of 6-N-[3-(dimethylamino)propyl]-4-N-(3-methoxyphenyl)-2-phenylpyrimidine-4,6-diamine?
The InChIKey is JNNNJVQPIHIOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-27(2)14-8-13-23-20-16-21(24-18-11-7-12-19(15-18)28-3)26-22(25-20)17-9-5-4-6-10-17/h4-7,9-12,15-16H,8,13-14H2,1-3H3,(H2,23,24,25,26).
What are the key properties of 6-N-[3-(dimethylamino)propyl]-4-N-(3-methoxyphenyl)-2-phenylpyrimidine-4,6-diamine?
6-N-[3-(dimethylamino)propyl]-4-N-(3-methoxyphenyl)-2-phenylpyrimidine-4,6-diamine has a molecular weight of 377.49 g/mol, XLogP of 4.26, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[3-(dimethylamino)propyl]-4-N-(3-methoxyphenyl)-2-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 112880900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).