6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-(3,4,7,8-tetrahydro-2H-1,4-benzoxazin-6-ylsulfanyl)pyrazin-2-amine

C19H28N6OS — CID 167263564

IUPAC6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-(3,4,7,8-tetrahydro-2H-1,4-benzoxazin-6-ylsulfanyl)pyrazin-2-amine
SMILESCC1(CN)CCN(c2cnc(SC3=CC4=C(CC3)OCCN4)c(N)n2)CC1
InChIInChI=1S/C19H28N6OS/c1-19(12-20)4-7-25(8-5-19)16-11-23-18(17(21)24-16)27-13-2-3-15-14(10-13)22-6-9-26-15/h10-11,22H,2-9,12,20H2,1H3,(H2,21,24)
InChIKeySNIKZAFOGKPAEJ-UHFFFAOYSA-N
MW388.54 g/mol
LogP2.23
Rot. Bonds4

About 6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-(3,4,7,8-tetrahydro-2H-1,4-benzoxazin-6-ylsulfanyl)pyrazin-2-amine

6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-(3,4,7,8-tetrahydro-2H-1,4-benzoxazin-6-ylsulfanyl)pyrazin-2-amine (PubChem CID 167263564) has the molecular formula C19H28N6OS and a molecular weight of 388.54 g/mol. Its IUPAC name is 6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-(3,4,7,8-tetrahydro-2H-1,4-benzoxazin-6-ylsulfanyl)pyrazin-2-amine.

Molecular Properties

Compound Name6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-(3,4,7,8-tetrahydro-2H-1,4-benzoxazin-6-ylsulfanyl)pyrazin-2-amine
PubChem CID167263564
Molecular FormulaC19H28N6OS
Molecular Weight388.54 g/mol
Exact Mass388.20
IUPAC Name6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-(3,4,7,8-tetrahydro-2H-1,4-benzoxazin-6-ylsulfanyl)pyrazin-2-amine
SMILESCC1(CN)CCN(c2cnc(SC3=CC4=C(CC3)OCCN4)c(N)n2)CC1
InChIInChI=1S/C19H28N6OS/c1-19(12-20)4-7-25(8-5-19)16-11-23-18(17(21)24-16)27-13-2-3-15-14(10-13)22-6-9-26-15/h10-11,22H,2-9,12,20H2,1H3,(H2,21,24)
InChIKeySNIKZAFOGKPAEJ-UHFFFAOYSA-N
XLogP2.23
TPSA102.32 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-(3,4,7,8-tetrahydro-2H-1,4-benzoxazin-6-ylsulfanyl)pyrazin-2-amine with MolForge

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Related Compounds

3-(3-amino-2-ethylphenyl)sulfanyl-6-[4-methyl-4-(methylamino)piperidin-1-yl]pyrazin-2-amine
CID 178154439
6-(4,4-dimethylpiperidin-1-yl)-3-phenylsulfanylpyrazin-2-amine
CID 167263224
1-[3-[3-amino-5-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-yl]sulfanyl-2-chlorophenyl]-4-hydroxy-7,8,9,9a-tetrahydro-6H-pyrido[1,2-a]pyrimidin-2-one
CID 175919068
6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-(3-methylpyridine-4-carboximidoyl)pyrazin-2-amine
CID 166992583
3-[amino-[(2-amino-3-chloro-4-pyridinyl)oxy]methyl]-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine
CID 142337795
N'-[6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-N,N'-dimethylethane-1,2-diamine
CID 142484688
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-amino-4-methylpiperidin-1-yl)-3-(4-bromo-2-chlorophenyl)sulfanylpyrazin-2-amine
CID 118248952
8-[6-amino-5-[[3-chloro-2-(dimethylamino)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 123512951
(4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-1-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 118247899
tert-butyl 2-[1-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-4-yl]acetate
CID 161362762
[4-amino-1-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]piperidin-4-yl]methanol
CID 118239415

Frequently Asked Questions

What is the IUPAC name of 6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-(3,4,7,8-tetrahydro-2H-1,4-benzoxazin-6-ylsulfanyl)pyrazin-2-amine?
The IUPAC name of 6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-(3,4,7,8-tetrahydro-2H-1,4-benzoxazin-6-ylsulfanyl)pyrazin-2-amine (CID 167263564) is 6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-(3,4,7,8-tetrahydro-2H-1,4-benzoxazin-6-ylsulfanyl)pyrazin-2-amine.
What is the SMILES notation for 6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-(3,4,7,8-tetrahydro-2H-1,4-benzoxazin-6-ylsulfanyl)pyrazin-2-amine?
The canonical SMILES for 6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-(3,4,7,8-tetrahydro-2H-1,4-benzoxazin-6-ylsulfanyl)pyrazin-2-amine is CC1(CN)CCN(c2cnc(SC3=CC4=C(CC3)OCCN4)c(N)n2)CC1.
What is the InChIKey of 6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-(3,4,7,8-tetrahydro-2H-1,4-benzoxazin-6-ylsulfanyl)pyrazin-2-amine?
The InChIKey is SNIKZAFOGKPAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6OS/c1-19(12-20)4-7-25(8-5-19)16-11-23-18(17(21)24-16)27-13-2-3-15-14(10-13)22-6-9-26-15/h10-11,22H,2-9,12,20H2,1H3,(H2,21,24).
What are the key properties of 6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-(3,4,7,8-tetrahydro-2H-1,4-benzoxazin-6-ylsulfanyl)pyrazin-2-amine?
6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-(3,4,7,8-tetrahydro-2H-1,4-benzoxazin-6-ylsulfanyl)pyrazin-2-amine has a molecular weight of 388.54 g/mol, XLogP of 2.23, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-(3,4,7,8-tetrahydro-2H-1,4-benzoxazin-6-ylsulfanyl)pyrazin-2-amine is sourced from PubChem (CID 167263564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).