2-N-cyclohexyl-6-N-[(4-methoxyphenyl)methyl]-4-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4,6-triamine

C23H29N7O — CID 10971832

IUPAC2-N-cyclohexyl-6-N-[(4-methoxyphenyl)methyl]-4-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCOc1ccc(CNc2nc(NCc3ccncc3)nc(NC3CCCCC3)n2)cc1
InChIInChI=1S/C23H29N7O/c1-31-20-9-7-17(8-10-20)15-25-21-28-22(26-16-18-11-13-24-14-12-18)30-23(29-21)27-19-5-3-2-4-6-19/h7-14,19H,2-6,15-16H2,1H3,(H3,25,26,27,28,29,30)
InChIKeyIYMVSBYVAYRRRS-UHFFFAOYSA-N
MW419.53 g/mol
LogP4.24
Rot. Bonds9

About 2-N-cyclohexyl-6-N-[(4-methoxyphenyl)methyl]-4-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4,6-triamine

2-N-cyclohexyl-6-N-[(4-methoxyphenyl)methyl]-4-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 10971832) has the molecular formula C23H29N7O and a molecular weight of 419.53 g/mol. Its IUPAC name is 2-N-cyclohexyl-6-N-[(4-methoxyphenyl)methyl]-4-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-cyclohexyl-6-N-[(4-methoxyphenyl)methyl]-4-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID10971832
Molecular FormulaC23H29N7O
Molecular Weight419.53 g/mol
Exact Mass419.24
IUPAC Name2-N-cyclohexyl-6-N-[(4-methoxyphenyl)methyl]-4-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCOc1ccc(CNc2nc(NCc3ccncc3)nc(NC3CCCCC3)n2)cc1
InChIInChI=1S/C23H29N7O/c1-31-20-9-7-17(8-10-20)15-25-21-28-22(26-16-18-11-13-24-14-12-18)30-23(29-21)27-19-5-3-2-4-6-19/h7-14,19H,2-6,15-16H2,1H3,(H3,25,26,27,28,29,30)
InChIKeyIYMVSBYVAYRRRS-UHFFFAOYSA-N
XLogP4.24
TPSA96.88 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-N-cyclohexyl-6-N-[(4-methoxyphenyl)methyl]-4-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 11014968
2-N-cyclohexyl-4-N-[(4-methoxyphenyl)methyl]-6-N-[(4-nitrophenyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 11123445
2-N-cyclohexyl-4-N-[(3-methoxyphenyl)methyl]-6-N-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 23900797
5-N-cyclohexyl-3-N-[(4-methoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112942210
4-N-cyclopentyl-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112909634
2-N-cyclohexyl-4-N,6-N-bis[(3,4,5-trimethoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 59302702
N-[(4-methoxyphenyl)methyl]cycloheptanamine
CID 784052
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[[4-(cyclohexylamino)-6-[(4-methoxyphenyl)methylamino]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 23872813
1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)methanamine;hydrobromide
CID 156593877
4-N-cycloheptyl-2-N-[2-(4-methoxyphenoxy)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112924534
3-[(4-methoxyphenyl)methylamino]-4-(pyridin-4-ylmethylamino)cyclobut-3-ene-1,2-dione
CID 53369414
2-N-cyclohexyl-4-N-[(2,3-dimethoxyphenyl)methyl]-6-N-[(3,4-dimethoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 23900803

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclohexyl-6-N-[(4-methoxyphenyl)methyl]-4-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-cyclohexyl-6-N-[(4-methoxyphenyl)methyl]-4-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4,6-triamine (CID 10971832) is 2-N-cyclohexyl-6-N-[(4-methoxyphenyl)methyl]-4-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-cyclohexyl-6-N-[(4-methoxyphenyl)methyl]-4-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-cyclohexyl-6-N-[(4-methoxyphenyl)methyl]-4-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4,6-triamine is COc1ccc(CNc2nc(NCc3ccncc3)nc(NC3CCCCC3)n2)cc1.
What is the InChIKey of 2-N-cyclohexyl-6-N-[(4-methoxyphenyl)methyl]-4-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is IYMVSBYVAYRRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O/c1-31-20-9-7-17(8-10-20)15-25-21-28-22(26-16-18-11-13-24-14-12-18)30-23(29-21)27-19-5-3-2-4-6-19/h7-14,19H,2-6,15-16H2,1H3,(H3,25,26,27,28,29,30).
What are the key properties of 2-N-cyclohexyl-6-N-[(4-methoxyphenyl)methyl]-4-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4,6-triamine?
2-N-cyclohexyl-6-N-[(4-methoxyphenyl)methyl]-4-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 419.53 g/mol, XLogP of 4.24, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclohexyl-6-N-[(4-methoxyphenyl)methyl]-4-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 10971832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).