3,5-diamino-6-methyl-N-[N'-(6,6,8,8-tetramethylnonyl)carbamimidoyl]pyrazine-2-carboxamide;2-methoxy-N,N-bis[(2-methyl-1,3-dioxan-4-yl)methyl]ethanamine

C35H66N8O6 — CID 143018106

IUPAC3,5-diamino-6-methyl-N-[N'-(6,6,8,8-tetramethylnonyl)carbamimidoyl]pyrazine-2-carboxamide;2-methoxy-N,N-bis[(2-methyl-1,3-dioxan-4-yl)methyl]ethanamine
SMILESCOCCN(CC1CCOC(C)O1)CC1CCOC(C)O1.Cc1nc(C(=O)N/C(N)=N/CCCCCC(C)(C)CC(C)(C)C)c(N)nc1N
InChIInChI=1S/C20H37N7O.C15H29NO5/c1-13-15(21)26-16(22)14(25-13)17(28)27-18(23)24-11-9-7-8-10-20(5,6)12-19(2,3)4;1-12-18-7-4-14(20-12)10-16(6-9-17-3)11-15-5-8-19-13(2)21-15/h7-12H2,1-6H3,(H4,21,22,26)(H3,23,24,27,28);12-15H,4-11H2,1-3H3
InChIKeyIOOGUCPKJFBIRX-UHFFFAOYSA-N
MW694.96 g/mol
LogP4.25
Rot. Bonds15

About 3,5-diamino-6-methyl-N-[N'-(6,6,8,8-tetramethylnonyl)carbamimidoyl]pyrazine-2-carboxamide;2-methoxy-N,N-bis[(2-methyl-1,3-dioxan-4-yl)methyl]ethanamine

3,5-diamino-6-methyl-N-[N'-(6,6,8,8-tetramethylnonyl)carbamimidoyl]pyrazine-2-carboxamide;2-methoxy-N,N-bis[(2-methyl-1,3-dioxan-4-yl)methyl]ethanamine (PubChem CID 143018106) has the molecular formula C35H66N8O6 and a molecular weight of 694.96 g/mol. Its IUPAC name is 3,5-diamino-6-methyl-N-[N'-(6,6,8,8-tetramethylnonyl)carbamimidoyl]pyrazine-2-carboxamide;2-methoxy-N,N-bis[(2-methyl-1,3-dioxan-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name3,5-diamino-6-methyl-N-[N'-(6,6,8,8-tetramethylnonyl)carbamimidoyl]pyrazine-2-carboxamide;2-methoxy-N,N-bis[(2-methyl-1,3-dioxan-4-yl)methyl]ethanamine
PubChem CID143018106
Molecular FormulaC35H66N8O6
Molecular Weight694.96 g/mol
Exact Mass694.51
IUPAC Name3,5-diamino-6-methyl-N-[N'-(6,6,8,8-tetramethylnonyl)carbamimidoyl]pyrazine-2-carboxamide;2-methoxy-N,N-bis[(2-methyl-1,3-dioxan-4-yl)methyl]ethanamine
SMILESCOCCN(CC1CCOC(C)O1)CC1CCOC(C)O1.Cc1nc(C(=O)N/C(N)=N/CCCCCC(C)(C)CC(C)(C)C)c(N)nc1N
InChIInChI=1S/C20H37N7O.C15H29NO5/c1-13-15(21)26-16(22)14(25-13)17(28)27-18(23)24-11-9-7-8-10-20(5,6)12-19(2,3)4;1-12-18-7-4-14(20-12)10-16(6-9-17-3)11-15-5-8-19-13(2)21-15/h7-12H2,1-6H3,(H4,21,22,26)(H3,23,24,27,28);12-15H,4-11H2,1-3H3
InChIKeyIOOGUCPKJFBIRX-UHFFFAOYSA-N
XLogP4.25
TPSA194.69 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.96
LogP ≤ 54.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3,5-diamino-6-methyl-N-[N'-[4-[4-[2-[[(2R,4R)-2-methyl-1,3-dioxan-4-yl]methylamino]ethoxy]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide
CID 143046469
3,5-diamino-N-[N'-[8-[2-(dimethylamino)ethoxy]-4,4,6,6-tetramethyloctyl]carbamimidoyl]-6-methylpyrazine-2-carboxamide
CID 143018114
3,5-diamino-N-[N'-[4-[4-(3-aminopropanoylamino)cyclohexyl]butyl]carbamimidoyl]-6-methylpyrazine-2-carboxamide
CID 143005697
3,5-diamino-N-[N'-(4-cyclohexa-1,5-dien-1-ylbutyl)carbamimidoyl]-6-methylpyrazine-2-carboxamide;ethane
CID 143641252
3,5-diamino-N-(N'-ethylcarbamimidoyl)-6-methylpyrazine-2-carboxamide;1-hexoxypropan-2-ol
CID 143018101
3,5-diamino-6-chloro-N-(N'-octylcarbamimidoyl)pyrazine-2-carboxamide;hydrochloride
CID 11625052
3,5-diamino-N-[N'-[12-(1-aminoethylideneamino)dodecyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;dihydrochloride
CID 159356412
3,5-diamino-6-chloro-N-[N'-[11-[[(3R,4S)-3,4-dihydroxy-4-[(2R,4R)-2-methyl-1,3-dioxolan-4-yl]butyl]-[(2S,3R,4S)-2,3,4-trihydroxy-4-[(2R,4R)-2-methyl-1,3-dioxolan-4-yl]butyl]amino]undecyl]carbamimidoyl]pyrazine-2-carboxamide;methanol;sulfane
CID 158815538
3,5-diamino-N-[N'-[4-[4-[2-(diaminomethylideneamino)ethylcarbamoyl]phenyl]butyl]carbamimidoyl]-6-methylpyrazine-2-carboxamide
CID 143641268
3,5-diamino-6-chloro-N-[N'-[4-(1-methylpiperidin-4-yl)butyl]carbamimidoyl]pyrazine-2-carboxamide
CID 89302969
3,5-diamino-N-[N'-(6-aminohexyl)carbamimidoyl]-6-chloropyrazine-2-carboxamide
CID 59714739
3,5-diamino-N-[N'-(9-aminononyl)carbamimidoyl]-6-chloropyrazine-2-carboxamide
CID 11575881

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-6-methyl-N-[N'-(6,6,8,8-tetramethylnonyl)carbamimidoyl]pyrazine-2-carboxamide;2-methoxy-N,N-bis[(2-methyl-1,3-dioxan-4-yl)methyl]ethanamine?
The IUPAC name of 3,5-diamino-6-methyl-N-[N'-(6,6,8,8-tetramethylnonyl)carbamimidoyl]pyrazine-2-carboxamide;2-methoxy-N,N-bis[(2-methyl-1,3-dioxan-4-yl)methyl]ethanamine (CID 143018106) is 3,5-diamino-6-methyl-N-[N'-(6,6,8,8-tetramethylnonyl)carbamimidoyl]pyrazine-2-carboxamide;2-methoxy-N,N-bis[(2-methyl-1,3-dioxan-4-yl)methyl]ethanamine.
What is the SMILES notation for 3,5-diamino-6-methyl-N-[N'-(6,6,8,8-tetramethylnonyl)carbamimidoyl]pyrazine-2-carboxamide;2-methoxy-N,N-bis[(2-methyl-1,3-dioxan-4-yl)methyl]ethanamine?
The canonical SMILES for 3,5-diamino-6-methyl-N-[N'-(6,6,8,8-tetramethylnonyl)carbamimidoyl]pyrazine-2-carboxamide;2-methoxy-N,N-bis[(2-methyl-1,3-dioxan-4-yl)methyl]ethanamine is COCCN(CC1CCOC(C)O1)CC1CCOC(C)O1.Cc1nc(C(=O)N/C(N)=N/CCCCCC(C)(C)CC(C)(C)C)c(N)nc1N.
What is the InChIKey of 3,5-diamino-6-methyl-N-[N'-(6,6,8,8-tetramethylnonyl)carbamimidoyl]pyrazine-2-carboxamide;2-methoxy-N,N-bis[(2-methyl-1,3-dioxan-4-yl)methyl]ethanamine?
The InChIKey is IOOGUCPKJFBIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N7O.C15H29NO5/c1-13-15(21)26-16(22)14(25-13)17(28)27-18(23)24-11-9-7-8-10-20(5,6)12-19(2,3)4;1-12-18-7-4-14(20-12)10-16(6-9-17-3)11-15-5-8-19-13(2)21-15/h7-12H2,1-6H3,(H4,21,22,26)(H3,23,24,27,28);12-15H,4-11H2,1-3H3.
What are the key properties of 3,5-diamino-6-methyl-N-[N'-(6,6,8,8-tetramethylnonyl)carbamimidoyl]pyrazine-2-carboxamide;2-methoxy-N,N-bis[(2-methyl-1,3-dioxan-4-yl)methyl]ethanamine?
3,5-diamino-6-methyl-N-[N'-(6,6,8,8-tetramethylnonyl)carbamimidoyl]pyrazine-2-carboxamide;2-methoxy-N,N-bis[(2-methyl-1,3-dioxan-4-yl)methyl]ethanamine has a molecular weight of 694.96 g/mol, XLogP of 4.25, 15 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-6-methyl-N-[N'-(6,6,8,8-tetramethylnonyl)carbamimidoyl]pyrazine-2-carboxamide;2-methoxy-N,N-bis[(2-methyl-1,3-dioxan-4-yl)methyl]ethanamine is sourced from PubChem (CID 143018106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).