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

C19H27N5 — CID 10616065

IUPAC2-N-(cyclopropylmethyl)-4-N-(2,4-dimethylphenyl)-6-methyl-2-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCN(CC1CC1)c1nc(C)nc(Nc2ccc(C)cc2C)n1
InChIInChI=1S/C19H27N5/c1-5-10-24(12-16-7-8-16)19-21-15(4)20-18(23-19)22-17-9-6-13(2)11-14(17)3/h6,9,11,16H,5,7-8,10,12H2,1-4H3,(H,20,21,22,23)
InChIKeyQQMCKDZJCQAODG-UHFFFAOYSA-N
MW325.46 g/mol
LogP4.17
Rot. Bonds7

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

2-N-(cyclopropylmethyl)-4-N-(2,4-dimethylphenyl)-6-methyl-2-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 10616065) has the molecular formula C19H27N5 and a molecular weight of 325.46 g/mol. Its IUPAC name is 2-N-(cyclopropylmethyl)-4-N-(2,4-dimethylphenyl)-6-methyl-2-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(cyclopropylmethyl)-4-N-(2,4-dimethylphenyl)-6-methyl-2-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID10616065
Molecular FormulaC19H27N5
Molecular Weight325.46 g/mol
Exact Mass325.23
IUPAC Name2-N-(cyclopropylmethyl)-4-N-(2,4-dimethylphenyl)-6-methyl-2-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCN(CC1CC1)c1nc(C)nc(Nc2ccc(C)cc2C)n1
InChIInChI=1S/C19H27N5/c1-5-10-24(12-16-7-8-16)19-21-15(4)20-18(23-19)22-17-9-6-13(2)11-14(17)3/h6,9,11,16H,5,7-8,10,12H2,1-4H3,(H,20,21,22,23)
InChIKeyQQMCKDZJCQAODG-UHFFFAOYSA-N
XLogP4.17
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-N,2-N-dibutyl-4-N-(2,4-dimethylphenyl)-6-methyl-1,3,5-triazine-2,4-diamine
CID 10617227
2-N-(cyclopropylmethyl)-6-methyl-4-N-phenyl-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 10827877
2-N-(cyclopropylmethyl)-6-methyl-2-N-pentyl-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4-diamine
CID 10571004
6-methyl-2-N,2-N-dipropyl-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4-diamine
CID 10616216
N-(cyclopropylmethyl)-7-(2,4-dimethylphenyl)-2-methyl-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 58866049
2-N-benzyl-4-N-(2,4-dimethylphenyl)-2-N,6-dimethyl-1,3,5-triazine-2,4-diamine
CID 10664382
4-N-(cyclopropylmethyl)-6-N,2-dimethyl-4-N-propylpyrimidine-4,6-diamine
CID 80800000
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(2,4-dimethylphenyl)-2-N,6-dimethyl-1,3,5-triazine-2,4-diamine
CID 10501566
6-chloro-2-N-(cyclopropylmethyl)-4-N-methyl-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80799483
4-N-(2,4-dimethylphenyl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
CID 80763640
6-N-(2,4-dimethylphenyl)-4-N,4-N-diethyl-2-methylpyrimidine-4,6-diamine
CID 112875657
2-N-butyl-2-N-ethyl-6-methyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 10756591

Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclopropylmethyl)-4-N-(2,4-dimethylphenyl)-6-methyl-2-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(cyclopropylmethyl)-4-N-(2,4-dimethylphenyl)-6-methyl-2-N-propyl-1,3,5-triazine-2,4-diamine (CID 10616065) is 2-N-(cyclopropylmethyl)-4-N-(2,4-dimethylphenyl)-6-methyl-2-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(cyclopropylmethyl)-4-N-(2,4-dimethylphenyl)-6-methyl-2-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(cyclopropylmethyl)-4-N-(2,4-dimethylphenyl)-6-methyl-2-N-propyl-1,3,5-triazine-2,4-diamine is CCCN(CC1CC1)c1nc(C)nc(Nc2ccc(C)cc2C)n1.
What is the InChIKey of 2-N-(cyclopropylmethyl)-4-N-(2,4-dimethylphenyl)-6-methyl-2-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is QQMCKDZJCQAODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5/c1-5-10-24(12-16-7-8-16)19-21-15(4)20-18(23-19)22-17-9-6-13(2)11-14(17)3/h6,9,11,16H,5,7-8,10,12H2,1-4H3,(H,20,21,22,23).
What are the key properties of 2-N-(cyclopropylmethyl)-4-N-(2,4-dimethylphenyl)-6-methyl-2-N-propyl-1,3,5-triazine-2,4-diamine?
2-N-(cyclopropylmethyl)-4-N-(2,4-dimethylphenyl)-6-methyl-2-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 325.46 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclopropylmethyl)-4-N-(2,4-dimethylphenyl)-6-methyl-2-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 10616065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).