2-N-(2-methoxy-5-methylphenyl)-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine

C22H26N4O — CID 112924364

IUPAC2-N-(2-methoxy-5-methylphenyl)-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(C)cc1Nc1nc(C)cc(NCCCc2ccccc2)n1
InChIInChI=1S/C22H26N4O/c1-16-11-12-20(27-3)19(14-16)25-22-24-17(2)15-21(26-22)23-13-7-10-18-8-5-4-6-9-18/h4-6,8-9,11-12,14-15H,7,10,13H2,1-3H3,(H2,23,24,25,26)
InChIKeyASPYLZODJFCVFU-UHFFFAOYSA-N
MW362.48 g/mol
LogP4.89
Rot. Bonds8

About 2-N-(2-methoxy-5-methylphenyl)-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine

2-N-(2-methoxy-5-methylphenyl)-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine (PubChem CID 112924364) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 2-N-(2-methoxy-5-methylphenyl)-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-methoxy-5-methylphenyl)-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine
PubChem CID112924364
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name2-N-(2-methoxy-5-methylphenyl)-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(C)cc1Nc1nc(C)cc(NCCCc2ccccc2)n1
InChIInChI=1S/C22H26N4O/c1-16-11-12-20(27-3)19(14-16)25-22-24-17(2)15-21(26-22)23-13-7-10-18-8-5-4-6-9-18/h4-6,8-9,11-12,14-15H,7,10,13H2,1-3H3,(H2,23,24,25,26)
InChIKeyASPYLZODJFCVFU-UHFFFAOYSA-N
XLogP4.89
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.89
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-butyl-2-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112908202
4-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-N-(2,5-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112922544
2-N-butyl-4-N-(2-methoxy-5-methylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112908400
2-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112921379
6-methyl-4-N-(2-phenylethyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112920056
4-N-(2-methoxy-5-methylphenyl)-6-methyl-2-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112927111
2-N-(3-methoxypropyl)-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112911933
4-N-(2-methoxyethyl)-6-methyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112911380
4-N-benzyl-2-N-(5-chloro-2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112915556
2-N-(2-bromo-4-methylphenyl)-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112920134
6-methyl-4-N-(2-phenylethyl)-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112920142
2-N-(5-chloro-2-methoxyphenyl)-6-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112916144

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methoxy-5-methylphenyl)-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2-methoxy-5-methylphenyl)-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine (CID 112924364) is 2-N-(2-methoxy-5-methylphenyl)-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2-methoxy-5-methylphenyl)-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2-methoxy-5-methylphenyl)-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine is COc1ccc(C)cc1Nc1nc(C)cc(NCCCc2ccccc2)n1.
What is the InChIKey of 2-N-(2-methoxy-5-methylphenyl)-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine?
The InChIKey is ASPYLZODJFCVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-16-11-12-20(27-3)19(14-16)25-22-24-17(2)15-21(26-22)23-13-7-10-18-8-5-4-6-9-18/h4-6,8-9,11-12,14-15H,7,10,13H2,1-3H3,(H2,23,24,25,26).
What are the key properties of 2-N-(2-methoxy-5-methylphenyl)-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine?
2-N-(2-methoxy-5-methylphenyl)-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine has a molecular weight of 362.48 g/mol, XLogP of 4.89, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methoxy-5-methylphenyl)-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112924364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).