N-[4-[[4-(aminomethyl)phenyl]methylamino]-6-[(3-methoxyphenyl)methylamino]-1,3,5-triazin-2-yl]hydroxylamine

C19H23N7O2 — CID 134108535

IUPACN-[4-[[4-(aminomethyl)phenyl]methylamino]-6-[(3-methoxyphenyl)methylamino]-1,3,5-triazin-2-yl]hydroxylamine
SMILESCOc1cccc(CNc2nc(NO)nc(NCc3ccc(CN)cc3)n2)c1
InChIInChI=1S/C19H23N7O2/c1-28-16-4-2-3-15(9-16)12-22-18-23-17(24-19(25-18)26-27)21-11-14-7-5-13(10-20)6-8-14/h2-9,27H,10-12,20H2,1H3,(H3,21,22,23,24,25,26)
InChIKeyLSAVENFXODQOPW-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.36
Rot. Bonds9

About N-[4-[[4-(aminomethyl)phenyl]methylamino]-6-[(3-methoxyphenyl)methylamino]-1,3,5-triazin-2-yl]hydroxylamine

N-[4-[[4-(aminomethyl)phenyl]methylamino]-6-[(3-methoxyphenyl)methylamino]-1,3,5-triazin-2-yl]hydroxylamine (PubChem CID 134108535) has the molecular formula C19H23N7O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-[4-[[4-(aminomethyl)phenyl]methylamino]-6-[(3-methoxyphenyl)methylamino]-1,3,5-triazin-2-yl]hydroxylamine.

Molecular Properties

Compound NameN-[4-[[4-(aminomethyl)phenyl]methylamino]-6-[(3-methoxyphenyl)methylamino]-1,3,5-triazin-2-yl]hydroxylamine
PubChem CID134108535
Molecular FormulaC19H23N7O2
Molecular Weight381.44 g/mol
Exact Mass381.19
IUPAC NameN-[4-[[4-(aminomethyl)phenyl]methylamino]-6-[(3-methoxyphenyl)methylamino]-1,3,5-triazin-2-yl]hydroxylamine
SMILESCOc1cccc(CNc2nc(NO)nc(NCc3ccc(CN)cc3)n2)c1
InChIInChI=1S/C19H23N7O2/c1-28-16-4-2-3-15(9-16)12-22-18-23-17(24-19(25-18)26-27)21-11-14-7-5-13(10-20)6-8-14/h2-9,27H,10-12,20H2,1H3,(H3,21,22,23,24,25,26)
InChIKeyLSAVENFXODQOPW-UHFFFAOYSA-N
XLogP2.36
TPSA130.24 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.36
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-[4-[[4-(aminomethyl)phenyl]methylamino]-6-[(3-methoxyphenyl)methylamino]-1,3,5-triazin-2-yl]hydroxylamine with MolForge

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Related Compounds

4-methoxy-N-[(3-methoxyphenyl)methyl]-6-methylpyrimidin-2-amine
CID 112690994
2-N-[(3-methoxyphenyl)methyl]-6-methyl-1,3,5-triazine-2,4-diamine
CID 166178490
6-chloro-2-N-[(3-methoxyphenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80798291
2-N-cyclohexyl-4-N-[(3-methoxyphenyl)methyl]-6-N-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 23900797
6-chloro-N-[(3-methoxyphenyl)methyl]pyridin-2-amine
CID 63587268
5-iodo-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine;(4-methoxyphenyl)methanamine
CID 138683371
6-N-[(3-methoxyphenyl)methyl]pyridine-2,3,6-triamine
CID 79826816
5-(aminomethyl)-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 63724046
4-ethoxy-N-[(3-methoxyphenyl)methyl]-6-methylpyrimidin-2-amine
CID 115974506
6-N-(2-aminoethyl)-2-N-(3-aminophenyl)-4-N-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 11567086
2-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2,3-diamine
CID 81131728
N-[(3-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methylamino]-4-methylpyrimidine-5-carboxamide
CID 20959741

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(aminomethyl)phenyl]methylamino]-6-[(3-methoxyphenyl)methylamino]-1,3,5-triazin-2-yl]hydroxylamine?
The IUPAC name of N-[4-[[4-(aminomethyl)phenyl]methylamino]-6-[(3-methoxyphenyl)methylamino]-1,3,5-triazin-2-yl]hydroxylamine (CID 134108535) is N-[4-[[4-(aminomethyl)phenyl]methylamino]-6-[(3-methoxyphenyl)methylamino]-1,3,5-triazin-2-yl]hydroxylamine.
What is the SMILES notation for N-[4-[[4-(aminomethyl)phenyl]methylamino]-6-[(3-methoxyphenyl)methylamino]-1,3,5-triazin-2-yl]hydroxylamine?
The canonical SMILES for N-[4-[[4-(aminomethyl)phenyl]methylamino]-6-[(3-methoxyphenyl)methylamino]-1,3,5-triazin-2-yl]hydroxylamine is COc1cccc(CNc2nc(NO)nc(NCc3ccc(CN)cc3)n2)c1.
What is the InChIKey of N-[4-[[4-(aminomethyl)phenyl]methylamino]-6-[(3-methoxyphenyl)methylamino]-1,3,5-triazin-2-yl]hydroxylamine?
The InChIKey is LSAVENFXODQOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O2/c1-28-16-4-2-3-15(9-16)12-22-18-23-17(24-19(25-18)26-27)21-11-14-7-5-13(10-20)6-8-14/h2-9,27H,10-12,20H2,1H3,(H3,21,22,23,24,25,26).
What are the key properties of N-[4-[[4-(aminomethyl)phenyl]methylamino]-6-[(3-methoxyphenyl)methylamino]-1,3,5-triazin-2-yl]hydroxylamine?
N-[4-[[4-(aminomethyl)phenyl]methylamino]-6-[(3-methoxyphenyl)methylamino]-1,3,5-triazin-2-yl]hydroxylamine has a molecular weight of 381.44 g/mol, XLogP of 2.36, 9 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(aminomethyl)phenyl]methylamino]-6-[(3-methoxyphenyl)methylamino]-1,3,5-triazin-2-yl]hydroxylamine is sourced from PubChem (CID 134108535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).