6-N-(3-methoxypropyl)-2-phenyl-4-N-(2-phenylethyl)pyrimidine-4,6-diamine

C22H26N4O — CID 112880400

IUPAC6-N-(3-methoxypropyl)-2-phenyl-4-N-(2-phenylethyl)pyrimidine-4,6-diamine
SMILESCOCCCNc1cc(NCCc2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H26N4O/c1-27-16-8-14-23-20-17-21(24-15-13-18-9-4-2-5-10-18)26-22(25-20)19-11-6-3-7-12-19/h2-7,9-12,17H,8,13-16H2,1H3,(H2,23,24,25,26)
InChIKeyJHAVBSKURYJWQH-UHFFFAOYSA-N
MW362.48 g/mol
LogP4.25
Rot. Bonds10

About 6-N-(3-methoxypropyl)-2-phenyl-4-N-(2-phenylethyl)pyrimidine-4,6-diamine

6-N-(3-methoxypropyl)-2-phenyl-4-N-(2-phenylethyl)pyrimidine-4,6-diamine (PubChem CID 112880400) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 6-N-(3-methoxypropyl)-2-phenyl-4-N-(2-phenylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(3-methoxypropyl)-2-phenyl-4-N-(2-phenylethyl)pyrimidine-4,6-diamine
PubChem CID112880400
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name6-N-(3-methoxypropyl)-2-phenyl-4-N-(2-phenylethyl)pyrimidine-4,6-diamine
SMILESCOCCCNc1cc(NCCc2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H26N4O/c1-27-16-8-14-23-20-17-21(24-15-13-18-9-4-2-5-10-18)26-22(25-20)19-11-6-3-7-12-19/h2-7,9-12,17H,8,13-16H2,1H3,(H2,23,24,25,26)
InChIKeyJHAVBSKURYJWQH-UHFFFAOYSA-N
XLogP4.25
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.25
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-N-[2-(4-fluorophenyl)ethyl]-6-N-(3-methoxypropyl)-2-phenylpyrimidine-4,6-diamine
CID 112880403
6-(3-methoxypropylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 112853304
6-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-methoxyethyl)-2-phenylpyrimidine-4,6-diamine
CID 112880259
4-N-[(2-methoxyphenyl)methyl]-6-N-(3-methoxypropyl)-2-phenylpyrimidine-4,6-diamine
CID 112880393
4-N-[2-(cyclohexen-1-yl)ethyl]-6-N-(3-methoxypropyl)-2-phenylpyrimidine-4,6-diamine
CID 112880214
4-N-(3,4-dimethylphenyl)-6-N-(3-methoxypropyl)-2-phenylpyrimidine-4,6-diamine
CID 112880429
6-hydrazinyl-N-(2-methoxyethyl)-2-phenylpyrimidin-4-amine
CID 112559970
4-N-tert-butyl-6-N-[2-(4-methoxyphenyl)ethyl]-2-phenylpyrimidine-4,6-diamine
CID 112881490
4-N-(2-methoxyethyl)-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112869509
2-N-(3-methoxypropyl)-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112911933
4-N-cyclopropyl-6-N-[2-(4-methoxyphenyl)ethyl]-2-phenylpyrimidine-4,6-diamine
CID 112879467
4-N-[2-(4-fluorophenyl)ethyl]-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879209

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-methoxypropyl)-2-phenyl-4-N-(2-phenylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-(3-methoxypropyl)-2-phenyl-4-N-(2-phenylethyl)pyrimidine-4,6-diamine (CID 112880400) is 6-N-(3-methoxypropyl)-2-phenyl-4-N-(2-phenylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(3-methoxypropyl)-2-phenyl-4-N-(2-phenylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(3-methoxypropyl)-2-phenyl-4-N-(2-phenylethyl)pyrimidine-4,6-diamine is COCCCNc1cc(NCCc2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 6-N-(3-methoxypropyl)-2-phenyl-4-N-(2-phenylethyl)pyrimidine-4,6-diamine?
The InChIKey is JHAVBSKURYJWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-27-16-8-14-23-20-17-21(24-15-13-18-9-4-2-5-10-18)26-22(25-20)19-11-6-3-7-12-19/h2-7,9-12,17H,8,13-16H2,1H3,(H2,23,24,25,26).
What are the key properties of 6-N-(3-methoxypropyl)-2-phenyl-4-N-(2-phenylethyl)pyrimidine-4,6-diamine?
6-N-(3-methoxypropyl)-2-phenyl-4-N-(2-phenylethyl)pyrimidine-4,6-diamine has a molecular weight of 362.48 g/mol, XLogP of 4.25, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-methoxypropyl)-2-phenyl-4-N-(2-phenylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112880400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).