2-N-(cyclopropylmethyl)-6-methyl-2-N-pentyl-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4-diamine

C22H33N5 — CID 10571004

IUPAC2-N-(cyclopropylmethyl)-6-methyl-2-N-pentyl-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCCCCCN(CC1CC1)c1nc(C)nc(Nc2c(C)cc(C)cc2C)n1
InChIInChI=1S/C22H33N5/c1-6-7-8-11-27(14-19-9-10-19)22-24-18(5)23-21(26-22)25-20-16(3)12-15(2)13-17(20)4/h12-13,19H,6-11,14H2,1-5H3,(H,23,24,25,26)
InChIKeySNTQKLUOXMLIBB-UHFFFAOYSA-N
MW367.54 g/mol
LogP5.26
Rot. Bonds9

About 2-N-(cyclopropylmethyl)-6-methyl-2-N-pentyl-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4-diamine

2-N-(cyclopropylmethyl)-6-methyl-2-N-pentyl-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 10571004) has the molecular formula C22H33N5 and a molecular weight of 367.54 g/mol. Its IUPAC name is 2-N-(cyclopropylmethyl)-6-methyl-2-N-pentyl-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(cyclopropylmethyl)-6-methyl-2-N-pentyl-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID10571004
Molecular FormulaC22H33N5
Molecular Weight367.54 g/mol
Exact Mass367.27
IUPAC Name2-N-(cyclopropylmethyl)-6-methyl-2-N-pentyl-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCCCCCN(CC1CC1)c1nc(C)nc(Nc2c(C)cc(C)cc2C)n1
InChIInChI=1S/C22H33N5/c1-6-7-8-11-27(14-19-9-10-19)22-24-18(5)23-21(26-22)25-20-16(3)12-15(2)13-17(20)4/h12-13,19H,6-11,14H2,1-5H3,(H,23,24,25,26)
InChIKeySNTQKLUOXMLIBB-UHFFFAOYSA-N
XLogP5.26
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.54
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclopropylmethyl)-6-methyl-2-N-pentyl-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(cyclopropylmethyl)-6-methyl-2-N-pentyl-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4-diamine (CID 10571004) is 2-N-(cyclopropylmethyl)-6-methyl-2-N-pentyl-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(cyclopropylmethyl)-6-methyl-2-N-pentyl-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(cyclopropylmethyl)-6-methyl-2-N-pentyl-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4-diamine is CCCCCN(CC1CC1)c1nc(C)nc(Nc2c(C)cc(C)cc2C)n1.
What is the InChIKey of 2-N-(cyclopropylmethyl)-6-methyl-2-N-pentyl-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is SNTQKLUOXMLIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5/c1-6-7-8-11-27(14-19-9-10-19)22-24-18(5)23-21(26-22)25-20-16(3)12-15(2)13-17(20)4/h12-13,19H,6-11,14H2,1-5H3,(H,23,24,25,26).
What are the key properties of 2-N-(cyclopropylmethyl)-6-methyl-2-N-pentyl-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4-diamine?
2-N-(cyclopropylmethyl)-6-methyl-2-N-pentyl-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 367.54 g/mol, XLogP of 5.26, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclopropylmethyl)-6-methyl-2-N-pentyl-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 10571004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).