N-[4-[(3-methoxyphenyl)methylamino]-6-[(5-methylpyrazin-2-yl)methylamino]-1,3,5-triazin-2-yl]-N-propan-2-ylhydroxylamine

C20H26N8O2 — CID 134107746

IUPACN-[4-[(3-methoxyphenyl)methylamino]-6-[(5-methylpyrazin-2-yl)methylamino]-1,3,5-triazin-2-yl]-N-propan-2-ylhydroxylamine
SMILESCOc1cccc(CNc2nc(NCc3cnc(C)cn3)nc(N(O)C(C)C)n2)c1
InChIInChI=1S/C20H26N8O2/c1-13(2)28(29)20-26-18(23-10-15-6-5-7-17(8-15)30-4)25-19(27-20)24-12-16-11-21-14(3)9-22-16/h5-9,11,13,29H,10,12H2,1-4H3,(H2,23,24,25,26,27)
InChIKeyOYQNNYNVQWFJEU-UHFFFAOYSA-N
MW410.48 g/mol
LogP2.81
Rot. Bonds9

About N-[4-[(3-methoxyphenyl)methylamino]-6-[(5-methylpyrazin-2-yl)methylamino]-1,3,5-triazin-2-yl]-N-propan-2-ylhydroxylamine

N-[4-[(3-methoxyphenyl)methylamino]-6-[(5-methylpyrazin-2-yl)methylamino]-1,3,5-triazin-2-yl]-N-propan-2-ylhydroxylamine (PubChem CID 134107746) has the molecular formula C20H26N8O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is N-[4-[(3-methoxyphenyl)methylamino]-6-[(5-methylpyrazin-2-yl)methylamino]-1,3,5-triazin-2-yl]-N-propan-2-ylhydroxylamine.

Molecular Properties

Compound NameN-[4-[(3-methoxyphenyl)methylamino]-6-[(5-methylpyrazin-2-yl)methylamino]-1,3,5-triazin-2-yl]-N-propan-2-ylhydroxylamine
PubChem CID134107746
Molecular FormulaC20H26N8O2
Molecular Weight410.48 g/mol
Exact Mass410.22
IUPAC NameN-[4-[(3-methoxyphenyl)methylamino]-6-[(5-methylpyrazin-2-yl)methylamino]-1,3,5-triazin-2-yl]-N-propan-2-ylhydroxylamine
SMILESCOc1cccc(CNc2nc(NCc3cnc(C)cn3)nc(N(O)C(C)C)n2)c1
InChIInChI=1S/C20H26N8O2/c1-13(2)28(29)20-26-18(23-10-15-6-5-7-17(8-15)30-4)25-19(27-20)24-12-16-11-21-14(3)9-22-16/h5-9,11,13,29H,10,12H2,1-4H3,(H2,23,24,25,26,27)
InChIKeyOYQNNYNVQWFJEU-UHFFFAOYSA-N
XLogP2.81
TPSA121.21 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[4-[(3-methoxyphenyl)methylamino]-6-[(5-methylpyrazin-2-yl)methylamino]-1,3,5-triazin-2-yl]-N-propan-2-ylhydroxylamine with MolForge

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Related Compounds

4-N-[(3-methoxyphenyl)methyl]-2-N-[(5-methylpyrazin-2-yl)methyl]-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine
CID 134107744
4-methoxy-N-[(3-methoxyphenyl)methyl]-6-methylpyrimidin-2-amine
CID 112690994
N-[4-[[4-(aminomethyl)phenyl]methylamino]-6-[(3-methoxyphenyl)methylamino]-1,3,5-triazin-2-yl]hydroxylamine
CID 134108535
6-chloro-2-N-[(3-methoxyphenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80798291
4-ethoxy-N-[(3-methoxyphenyl)methyl]-6-methylpyrimidin-2-amine
CID 115974506
2-N-[(3-methoxyphenyl)methyl]-6-methyl-1,3,5-triazine-2,4-diamine
CID 166178490
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-[(3-methoxyphenyl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine
CID 43690444
6-chloro-N-[(3-methoxyphenyl)methyl]pyridin-2-amine
CID 63587268
ethyl 2-[(3-methoxyphenyl)methylamino]-4-methylpyrimidine-5-carboxylate
CID 20855185
N-[(3-methoxyphenyl)methyl]-4-methyl-1-(2-methylpropyl)imidazol-2-amine
CID 106563494
1-(3-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 60962176

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-methoxyphenyl)methylamino]-6-[(5-methylpyrazin-2-yl)methylamino]-1,3,5-triazin-2-yl]-N-propan-2-ylhydroxylamine?
The IUPAC name of N-[4-[(3-methoxyphenyl)methylamino]-6-[(5-methylpyrazin-2-yl)methylamino]-1,3,5-triazin-2-yl]-N-propan-2-ylhydroxylamine (CID 134107746) is N-[4-[(3-methoxyphenyl)methylamino]-6-[(5-methylpyrazin-2-yl)methylamino]-1,3,5-triazin-2-yl]-N-propan-2-ylhydroxylamine.
What is the SMILES notation for N-[4-[(3-methoxyphenyl)methylamino]-6-[(5-methylpyrazin-2-yl)methylamino]-1,3,5-triazin-2-yl]-N-propan-2-ylhydroxylamine?
The canonical SMILES for N-[4-[(3-methoxyphenyl)methylamino]-6-[(5-methylpyrazin-2-yl)methylamino]-1,3,5-triazin-2-yl]-N-propan-2-ylhydroxylamine is COc1cccc(CNc2nc(NCc3cnc(C)cn3)nc(N(O)C(C)C)n2)c1.
What is the InChIKey of N-[4-[(3-methoxyphenyl)methylamino]-6-[(5-methylpyrazin-2-yl)methylamino]-1,3,5-triazin-2-yl]-N-propan-2-ylhydroxylamine?
The InChIKey is OYQNNYNVQWFJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N8O2/c1-13(2)28(29)20-26-18(23-10-15-6-5-7-17(8-15)30-4)25-19(27-20)24-12-16-11-21-14(3)9-22-16/h5-9,11,13,29H,10,12H2,1-4H3,(H2,23,24,25,26,27).
What are the key properties of N-[4-[(3-methoxyphenyl)methylamino]-6-[(5-methylpyrazin-2-yl)methylamino]-1,3,5-triazin-2-yl]-N-propan-2-ylhydroxylamine?
N-[4-[(3-methoxyphenyl)methylamino]-6-[(5-methylpyrazin-2-yl)methylamino]-1,3,5-triazin-2-yl]-N-propan-2-ylhydroxylamine has a molecular weight of 410.48 g/mol, XLogP of 2.81, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-methoxyphenyl)methylamino]-6-[(5-methylpyrazin-2-yl)methylamino]-1,3,5-triazin-2-yl]-N-propan-2-ylhydroxylamine is sourced from PubChem (CID 134107746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).