6-[2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]cyclohexyl]-1,3,5-triazine-2,4-diamine

C19H24N10 — CID 57316892

IUPAC6-[2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]cyclohexyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(C2CCCCC2c2nc(N)nc(NCc3ccccc3)n2)n1
InChIInChI=1S/C19H24N10/c20-16-24-14(25-17(21)28-16)12-8-4-5-9-13(12)15-26-18(22)29-19(27-15)23-10-11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10H2,(H4,20,21,24,25,28)(H3,22,23,26,27,29)
InChIKeyUAHSKMWLAHSHJE-UHFFFAOYSA-N
MW392.47 g/mol
LogP1.86
Rot. Bonds5

About 6-[2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]cyclohexyl]-1,3,5-triazine-2,4-diamine

6-[2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]cyclohexyl]-1,3,5-triazine-2,4-diamine (PubChem CID 57316892) has the molecular formula C19H24N10 and a molecular weight of 392.47 g/mol. Its IUPAC name is 6-[2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]cyclohexyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]cyclohexyl]-1,3,5-triazine-2,4-diamine
PubChem CID57316892
Molecular FormulaC19H24N10
Molecular Weight392.47 g/mol
Exact Mass392.22
IUPAC Name6-[2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]cyclohexyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(C2CCCCC2c2nc(N)nc(NCc3ccccc3)n2)n1
InChIInChI=1S/C19H24N10/c20-16-24-14(25-17(21)28-16)12-8-4-5-9-13(12)15-26-18(22)29-19(27-15)23-10-11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10H2,(H4,20,21,24,25,28)(H3,22,23,26,27,29)
InChIKeyUAHSKMWLAHSHJE-UHFFFAOYSA-N
XLogP1.86
TPSA167.43 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 51.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 6-[2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]cyclohexyl]-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-N-[(2-phenylcyclohexyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 136554738
2-N,4-N,6-N-tribenzyl-1,3,5-triazine-2,4,6-triamine
CID 11372871
4-N-benzyl-2-N-(2-methylprop-2-enyl)-1,3,5-triazine-2,4,6-triamine
CID 54014902
2-N-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 25211898
2-N-(cyclohexylmethyl)-6-phenyl-1,3,5-triazine-2,4-diamine
CID 139676139
6-[(4-benzylpiperazin-1-yl)methyl]-2-N-[(4-chlorophenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 66507575
2-N-benzyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80770243
6-N-benzyl-4-N-cyclopentyl-2-phenylpyrimidine-4,5,6-triamine
CID 10546397
2-N,4-N-dibenzylpyrimidine-2,4,6-triamine
CID 100996925
2-N-benzyl-4-N-cyclohexyl-5-nitropyrimidine-2,4,6-triamine
CID 3764201
2-N-benzyl-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 7589426
6-N-benzyl-4-N-cyclohexylpyrimidine-4,5,6-triamine
CID 19135747

Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]cyclohexyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]cyclohexyl]-1,3,5-triazine-2,4-diamine (CID 57316892) is 6-[2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]cyclohexyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]cyclohexyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]cyclohexyl]-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(C2CCCCC2c2nc(N)nc(NCc3ccccc3)n2)n1.
What is the InChIKey of 6-[2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]cyclohexyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is UAHSKMWLAHSHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N10/c20-16-24-14(25-17(21)28-16)12-8-4-5-9-13(12)15-26-18(22)29-19(27-15)23-10-11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10H2,(H4,20,21,24,25,28)(H3,22,23,26,27,29).
What are the key properties of 6-[2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]cyclohexyl]-1,3,5-triazine-2,4-diamine?
6-[2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]cyclohexyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 392.47 g/mol, XLogP of 1.86, 5 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]cyclohexyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 57316892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).