3-amino-N-[3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]phenyl]pyrazine-2-carboxamide

C17H19N9O2 — CID 136525918

IUPAC3-amino-N-[3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]phenyl]pyrazine-2-carboxamide
SMILESCN(C)c1nc(N)nc(COc2cccc(NC(=O)c3nccnc3N)c2)n1
InChIInChI=1S/C17H19N9O2/c1-26(2)17-24-12(23-16(19)25-17)9-28-11-5-3-4-10(8-11)22-15(27)13-14(18)21-7-6-20-13/h3-8H,9H2,1-2H3,(H2,18,21)(H,22,27)(H2,19,23,24,25)
InChIKeyBRZCLRKIXYRXOK-UHFFFAOYSA-N
MW381.40 g/mol
LogP0.72
Rot. Bonds6

About 3-amino-N-[3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]phenyl]pyrazine-2-carboxamide

3-amino-N-[3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]phenyl]pyrazine-2-carboxamide (PubChem CID 136525918) has the molecular formula C17H19N9O2 and a molecular weight of 381.40 g/mol. Its IUPAC name is 3-amino-N-[3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]phenyl]pyrazine-2-carboxamide
PubChem CID136525918
Molecular FormulaC17H19N9O2
Molecular Weight381.40 g/mol
Exact Mass381.17
IUPAC Name3-amino-N-[3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]phenyl]pyrazine-2-carboxamide
SMILESCN(C)c1nc(N)nc(COc2cccc(NC(=O)c3nccnc3N)c2)n1
InChIInChI=1S/C17H19N9O2/c1-26(2)17-24-12(23-16(19)25-17)9-28-11-5-3-4-10(8-11)22-15(27)13-14(18)21-7-6-20-13/h3-8H,9H2,1-2H3,(H2,18,21)(H,22,27)(H2,19,23,24,25)
InChIKeyBRZCLRKIXYRXOK-UHFFFAOYSA-N
XLogP0.72
TPSA158.06 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 3-amino-N-[3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]phenyl]pyrazine-2-carboxamide with MolForge

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Related Compounds

3-amino-N-(3-methoxyphenyl)pyrazine-2-carboxamide
CID 46673484
N-[3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]phenyl]pyrrolidine-2-carboxamide
CID 119346030
3-amino-N-[3-[(3-fluorophenoxy)methyl]phenyl]pyrazine-2-carboxamide
CID 38613495
3-amino-N-[2-(dimethylamino)-4-pyridinyl]pyrazine-2-carboxamide
CID 154749790
3-amino-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]pyrazine-2-carboxamide
CID 30831505
3-amino-N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]pyrazine-2-carboxamide
CID 38587212
[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-[(3-methoxybenzoyl)amino]acetate
CID 25463220
4-amino-N-[3-(2-methoxyethoxy)phenyl]-1,2,5-oxadiazole-3-carboxamide
CID 62688696
2-amino-4-methyl-N-(3-phenylmethoxyphenyl)pyridine-3-carboxamide
CID 174625351
3-[(3-methoxyphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 20866755
N-[3-(2-aminoethoxy)phenyl]-3-bromopyridine-2-carboxamide
CID 107519972
2-amino-4-methyl-N-[3-[(3-methylphenyl)methoxy]phenyl]pyridine-3-carboxamide
CID 174610770

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]phenyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]phenyl]pyrazine-2-carboxamide (CID 136525918) is 3-amino-N-[3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]phenyl]pyrazine-2-carboxamide is CN(C)c1nc(N)nc(COc2cccc(NC(=O)c3nccnc3N)c2)n1.
What is the InChIKey of 3-amino-N-[3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]phenyl]pyrazine-2-carboxamide?
The InChIKey is BRZCLRKIXYRXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N9O2/c1-26(2)17-24-12(23-16(19)25-17)9-28-11-5-3-4-10(8-11)22-15(27)13-14(18)21-7-6-20-13/h3-8H,9H2,1-2H3,(H2,18,21)(H,22,27)(H2,19,23,24,25).
What are the key properties of 3-amino-N-[3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]phenyl]pyrazine-2-carboxamide?
3-amino-N-[3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]phenyl]pyrazine-2-carboxamide has a molecular weight of 381.40 g/mol, XLogP of 0.72, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 136525918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).