2-N-(cyclopropylmethyl)-6-methyl-4-N-phenyl-2-N-propyl-1,3,5-triazine-2,4-diamine

C17H23N5 — CID 10827877

IUPAC2-N-(cyclopropylmethyl)-6-methyl-4-N-phenyl-2-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCN(CC1CC1)c1nc(C)nc(Nc2ccccc2)n1
InChIInChI=1S/C17H23N5/c1-3-11-22(12-14-9-10-14)17-19-13(2)18-16(21-17)20-15-7-5-4-6-8-15/h4-8,14H,3,9-12H2,1-2H3,(H,18,19,20,21)
InChIKeyMYWBKDCRJDTEHM-UHFFFAOYSA-N
MW297.41 g/mol
LogP3.55
Rot. Bonds7

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

2-N-(cyclopropylmethyl)-6-methyl-4-N-phenyl-2-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 10827877) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is 2-N-(cyclopropylmethyl)-6-methyl-4-N-phenyl-2-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(cyclopropylmethyl)-6-methyl-4-N-phenyl-2-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID10827877
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC Name2-N-(cyclopropylmethyl)-6-methyl-4-N-phenyl-2-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCN(CC1CC1)c1nc(C)nc(Nc2ccccc2)n1
InChIInChI=1S/C17H23N5/c1-3-11-22(12-14-9-10-14)17-19-13(2)18-16(21-17)20-15-7-5-4-6-8-15/h4-8,14H,3,9-12H2,1-2H3,(H,18,19,20,21)
InChIKeyMYWBKDCRJDTEHM-UHFFFAOYSA-N
XLogP3.55
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-N-(cyclopropylmethyl)-6-methyl-4-N-phenyl-2-N-propyl-1,3,5-triazine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclopropylmethyl)-6-methyl-4-N-phenyl-2-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(cyclopropylmethyl)-6-methyl-4-N-phenyl-2-N-propyl-1,3,5-triazine-2,4-diamine (CID 10827877) is 2-N-(cyclopropylmethyl)-6-methyl-4-N-phenyl-2-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(cyclopropylmethyl)-6-methyl-4-N-phenyl-2-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(cyclopropylmethyl)-6-methyl-4-N-phenyl-2-N-propyl-1,3,5-triazine-2,4-diamine is CCCN(CC1CC1)c1nc(C)nc(Nc2ccccc2)n1.
What is the InChIKey of 2-N-(cyclopropylmethyl)-6-methyl-4-N-phenyl-2-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is MYWBKDCRJDTEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5/c1-3-11-22(12-14-9-10-14)17-19-13(2)18-16(21-17)20-15-7-5-4-6-8-15/h4-8,14H,3,9-12H2,1-2H3,(H,18,19,20,21).
What are the key properties of 2-N-(cyclopropylmethyl)-6-methyl-4-N-phenyl-2-N-propyl-1,3,5-triazine-2,4-diamine?
2-N-(cyclopropylmethyl)-6-methyl-4-N-phenyl-2-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 297.41 g/mol, XLogP of 3.55, 7 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-4-N-phenyl-2-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 10827877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).