3-[amino-[(2-amino-3-chloro-4-pyridinyl)oxy]methyl]-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine

C17H25ClN8O — CID 142337795

IUPAC3-[amino-[(2-amino-3-chloro-4-pyridinyl)oxy]methyl]-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine
SMILESCC1(CN)CCN(c2cnc(C(N)Oc3ccnc(N)c3Cl)c(N)n2)CC1
InChIInChI=1S/C17H25ClN8O/c1-17(9-19)3-6-26(7-4-17)11-8-24-13(15(21)25-11)16(22)27-10-2-5-23-14(20)12(10)18/h2,5,8,16H,3-4,6-7,9,19,22H2,1H3,(H2,20,23)(H2,21,25)
InChIKeyDZNAYWMIMBQJMX-UHFFFAOYSA-N
MW392.90 g/mol
LogP1.29
Rot. Bonds5

About 3-[amino-[(2-amino-3-chloro-4-pyridinyl)oxy]methyl]-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine

3-[amino-[(2-amino-3-chloro-4-pyridinyl)oxy]methyl]-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine (PubChem CID 142337795) has the molecular formula C17H25ClN8O and a molecular weight of 392.90 g/mol. Its IUPAC name is 3-[amino-[(2-amino-3-chloro-4-pyridinyl)oxy]methyl]-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine.

Molecular Properties

Compound Name3-[amino-[(2-amino-3-chloro-4-pyridinyl)oxy]methyl]-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine
PubChem CID142337795
Molecular FormulaC17H25ClN8O
Molecular Weight392.90 g/mol
Exact Mass392.18
IUPAC Name3-[amino-[(2-amino-3-chloro-4-pyridinyl)oxy]methyl]-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine
SMILESCC1(CN)CCN(c2cnc(C(N)Oc3ccnc(N)c3Cl)c(N)n2)CC1
InChIInChI=1S/C17H25ClN8O/c1-17(9-19)3-6-26(7-4-17)11-8-24-13(15(21)25-11)16(22)27-10-2-5-23-14(20)12(10)18/h2,5,8,16H,3-4,6-7,9,19,22H2,1H3,(H2,20,23)(H2,21,25)
InChIKeyDZNAYWMIMBQJMX-UHFFFAOYSA-N
XLogP1.29
TPSA155.22 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.90
LogP ≤ 51.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-[[6-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]oxy]-3-chloropyridin-2-amine
CID 134474008
(3-chloro-2-methyl-4-pyridinyl) 3-amino-5-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazine-2-carboximidate
CID 146642179
4-N-[6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-2H-pyrazolo[3,4-b]pyrazin-3-yl]-3-chloropyridine-2,4-diamine;dihydrochloride
CID 142484329
6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-(3-methylpyridine-4-carboximidoyl)pyrazin-2-amine
CID 166992583
3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2,3-dichloro-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-7-amine
CID 157260263
[1-(3-chloro-2-pyridinyl)-4-methylpiperidin-4-yl]methanamine
CID 107160290
8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 123693552
[1-[5-(2-chloro-3-methylphenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-4-yl]methanamine
CID 174250435
3-chloro-4-ethoxypyridin-2-amine
CID 154642114
[4-methyl-1-[3-(4-methylsulfanyloxyphenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine
CID 170184626
[1-(6-ethoxy-2-methylpyrimidin-4-yl)-4-methylpiperidin-4-yl]methanamine
CID 107160328
[3-chloro-2-(4-ethyl-4-methylpiperidin-1-yl)-4-pyridinyl]methanamine
CID 107055512

Frequently Asked Questions

What is the IUPAC name of 3-[amino-[(2-amino-3-chloro-4-pyridinyl)oxy]methyl]-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine?
The IUPAC name of 3-[amino-[(2-amino-3-chloro-4-pyridinyl)oxy]methyl]-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine (CID 142337795) is 3-[amino-[(2-amino-3-chloro-4-pyridinyl)oxy]methyl]-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine.
What is the SMILES notation for 3-[amino-[(2-amino-3-chloro-4-pyridinyl)oxy]methyl]-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine?
The canonical SMILES for 3-[amino-[(2-amino-3-chloro-4-pyridinyl)oxy]methyl]-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine is CC1(CN)CCN(c2cnc(C(N)Oc3ccnc(N)c3Cl)c(N)n2)CC1.
What is the InChIKey of 3-[amino-[(2-amino-3-chloro-4-pyridinyl)oxy]methyl]-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine?
The InChIKey is DZNAYWMIMBQJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN8O/c1-17(9-19)3-6-26(7-4-17)11-8-24-13(15(21)25-11)16(22)27-10-2-5-23-14(20)12(10)18/h2,5,8,16H,3-4,6-7,9,19,22H2,1H3,(H2,20,23)(H2,21,25).
What are the key properties of 3-[amino-[(2-amino-3-chloro-4-pyridinyl)oxy]methyl]-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine?
3-[amino-[(2-amino-3-chloro-4-pyridinyl)oxy]methyl]-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine has a molecular weight of 392.90 g/mol, XLogP of 1.29, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino-[(2-amino-3-chloro-4-pyridinyl)oxy]methyl]-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine is sourced from PubChem (CID 142337795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).