4-N-(3-methoxypropyl)-2-N,6-N-dimethyl-5-[(4-propylphenyl)diazenyl]pyrimidine-2,4,6-triamine

C19H29N7O — CID 59189067

IUPAC4-N-(3-methoxypropyl)-2-N,6-N-dimethyl-5-[(4-propylphenyl)diazenyl]pyrimidine-2,4,6-triamine
SMILESCCCc1ccc(/N=N/c2c(NC)nc(NC)nc2NCCCOC)cc1
InChIInChI=1S/C19H29N7O/c1-5-7-14-8-10-15(11-9-14)25-26-16-17(20-2)23-19(21-3)24-18(16)22-12-6-13-27-4/h8-11H,5-7,12-13H2,1-4H3,(H3,20,21,22,23,24)/b26-25+
InChIKeyWXVYIZNTGAWQFI-OCEACIFDSA-N
MW371.49 g/mol
LogP4.38
Rot. Bonds11

About 4-N-(3-methoxypropyl)-2-N,6-N-dimethyl-5-[(4-propylphenyl)diazenyl]pyrimidine-2,4,6-triamine

4-N-(3-methoxypropyl)-2-N,6-N-dimethyl-5-[(4-propylphenyl)diazenyl]pyrimidine-2,4,6-triamine (PubChem CID 59189067) has the molecular formula C19H29N7O and a molecular weight of 371.49 g/mol. Its IUPAC name is 4-N-(3-methoxypropyl)-2-N,6-N-dimethyl-5-[(4-propylphenyl)diazenyl]pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(3-methoxypropyl)-2-N,6-N-dimethyl-5-[(4-propylphenyl)diazenyl]pyrimidine-2,4,6-triamine
PubChem CID59189067
Molecular FormulaC19H29N7O
Molecular Weight371.49 g/mol
Exact Mass371.24
IUPAC Name4-N-(3-methoxypropyl)-2-N,6-N-dimethyl-5-[(4-propylphenyl)diazenyl]pyrimidine-2,4,6-triamine
SMILESCCCc1ccc(/N=N/c2c(NC)nc(NC)nc2NCCCOC)cc1
InChIInChI=1S/C19H29N7O/c1-5-7-14-8-10-15(11-9-14)25-26-16-17(20-2)23-19(21-3)24-18(16)22-12-6-13-27-4/h8-11H,5-7,12-13H2,1-4H3,(H3,20,21,22,23,24)/b26-25+
InChIKeyWXVYIZNTGAWQFI-OCEACIFDSA-N
XLogP4.38
TPSA95.82 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3-methoxypropyl)-2-N,6-N-dimethyl-5-[(4-propylphenyl)diazenyl]pyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-(3-methoxypropyl)-2-N,6-N-dimethyl-5-[(4-propylphenyl)diazenyl]pyrimidine-2,4,6-triamine (CID 59189067) is 4-N-(3-methoxypropyl)-2-N,6-N-dimethyl-5-[(4-propylphenyl)diazenyl]pyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-(3-methoxypropyl)-2-N,6-N-dimethyl-5-[(4-propylphenyl)diazenyl]pyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-(3-methoxypropyl)-2-N,6-N-dimethyl-5-[(4-propylphenyl)diazenyl]pyrimidine-2,4,6-triamine is CCCc1ccc(/N=N/c2c(NC)nc(NC)nc2NCCCOC)cc1.
What is the InChIKey of 4-N-(3-methoxypropyl)-2-N,6-N-dimethyl-5-[(4-propylphenyl)diazenyl]pyrimidine-2,4,6-triamine?
The InChIKey is WXVYIZNTGAWQFI-OCEACIFDSA-N. The full InChI is InChI=1S/C19H29N7O/c1-5-7-14-8-10-15(11-9-14)25-26-16-17(20-2)23-19(21-3)24-18(16)22-12-6-13-27-4/h8-11H,5-7,12-13H2,1-4H3,(H3,20,21,22,23,24)/b26-25+.
What are the key properties of 4-N-(3-methoxypropyl)-2-N,6-N-dimethyl-5-[(4-propylphenyl)diazenyl]pyrimidine-2,4,6-triamine?
4-N-(3-methoxypropyl)-2-N,6-N-dimethyl-5-[(4-propylphenyl)diazenyl]pyrimidine-2,4,6-triamine has a molecular weight of 371.49 g/mol, XLogP of 4.38, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-methoxypropyl)-2-N,6-N-dimethyl-5-[(4-propylphenyl)diazenyl]pyrimidine-2,4,6-triamine is sourced from PubChem (CID 59189067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).