6-[4-(aminomethyl)-3-methylpiperidin-1-yl]-3-[(3-chloro-2-cyclopropyl-4-pyridinyl)sulfanyl]pyrazin-2-amine

C19H25ClN6S — CID 164860834

IUPAC6-[4-(aminomethyl)-3-methylpiperidin-1-yl]-3-[(3-chloro-2-cyclopropyl-4-pyridinyl)sulfanyl]pyrazin-2-amine
SMILESCC1CN(c2cnc(Sc3ccnc(C4CC4)c3Cl)c(N)n2)CCC1CN
InChIInChI=1S/C19H25ClN6S/c1-11-10-26(7-5-13(11)8-21)15-9-24-19(18(22)25-15)27-14-4-6-23-17(16(14)20)12-2-3-12/h4,6,9,11-13H,2-3,5,7-8,10,21H2,1H3,(H2,22,25)
InChIKeyPGUNJHLJPKWNSQ-UHFFFAOYSA-N
MW404.97 g/mol
LogP3.56
Rot. Bonds5

About 6-[4-(aminomethyl)-3-methylpiperidin-1-yl]-3-[(3-chloro-2-cyclopropyl-4-pyridinyl)sulfanyl]pyrazin-2-amine

6-[4-(aminomethyl)-3-methylpiperidin-1-yl]-3-[(3-chloro-2-cyclopropyl-4-pyridinyl)sulfanyl]pyrazin-2-amine (PubChem CID 164860834) has the molecular formula C19H25ClN6S and a molecular weight of 404.97 g/mol. Its IUPAC name is 6-[4-(aminomethyl)-3-methylpiperidin-1-yl]-3-[(3-chloro-2-cyclopropyl-4-pyridinyl)sulfanyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-[4-(aminomethyl)-3-methylpiperidin-1-yl]-3-[(3-chloro-2-cyclopropyl-4-pyridinyl)sulfanyl]pyrazin-2-amine
PubChem CID164860834
Molecular FormulaC19H25ClN6S
Molecular Weight404.97 g/mol
Exact Mass404.15
IUPAC Name6-[4-(aminomethyl)-3-methylpiperidin-1-yl]-3-[(3-chloro-2-cyclopropyl-4-pyridinyl)sulfanyl]pyrazin-2-amine
SMILESCC1CN(c2cnc(Sc3ccnc(C4CC4)c3Cl)c(N)n2)CCC1CN
InChIInChI=1S/C19H25ClN6S/c1-11-10-26(7-5-13(11)8-21)15-9-24-19(18(22)25-15)27-14-4-6-23-17(16(14)20)12-2-3-12/h4,6,9,11-13H,2-3,5,7-8,10,21H2,1H3,(H2,22,25)
InChIKeyPGUNJHLJPKWNSQ-UHFFFAOYSA-N
XLogP3.56
TPSA93.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.97
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[4-(aminomethyl)-3-methylpiperidin-1-yl]-3-[(3-chloro-2-cyclopropyl-4-pyridinyl)sulfanyl]pyrazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

4-[5-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-3-methylpyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;methane
CID 161203675
3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(4-amino-2-methoxybutyl)piperidin-1-yl]pyrazin-2-amine
CID 123544511
3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-(3-cyclopropyl-8-azaspiro[4.5]dec-2-en-8-yl)pyrazin-2-amine
CID 163831275
7-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine
CID 123271805
8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 123693552
3-[(3-chloro-2-methoxy-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine
CID 134401654
[3-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-7-(4-methyl-1,3-thiazol-2-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methylcarbamic acid
CID 170430816
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
[4-amino-1-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]piperidin-4-yl]methanol
CID 118239415
(R)-N-[7-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-7-azaspiro[3.5]nonan-3-yl]-2-methylpropane-2-sulfinamide
CID 144887444
1-[4-[3-amino-5-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloro-2-pyridinyl]piperidine-4-carboxylic acid
CID 177224466

Frequently Asked Questions

What is the IUPAC name of 6-[4-(aminomethyl)-3-methylpiperidin-1-yl]-3-[(3-chloro-2-cyclopropyl-4-pyridinyl)sulfanyl]pyrazin-2-amine?
The IUPAC name of 6-[4-(aminomethyl)-3-methylpiperidin-1-yl]-3-[(3-chloro-2-cyclopropyl-4-pyridinyl)sulfanyl]pyrazin-2-amine (CID 164860834) is 6-[4-(aminomethyl)-3-methylpiperidin-1-yl]-3-[(3-chloro-2-cyclopropyl-4-pyridinyl)sulfanyl]pyrazin-2-amine.
What is the SMILES notation for 6-[4-(aminomethyl)-3-methylpiperidin-1-yl]-3-[(3-chloro-2-cyclopropyl-4-pyridinyl)sulfanyl]pyrazin-2-amine?
The canonical SMILES for 6-[4-(aminomethyl)-3-methylpiperidin-1-yl]-3-[(3-chloro-2-cyclopropyl-4-pyridinyl)sulfanyl]pyrazin-2-amine is CC1CN(c2cnc(Sc3ccnc(C4CC4)c3Cl)c(N)n2)CCC1CN.
What is the InChIKey of 6-[4-(aminomethyl)-3-methylpiperidin-1-yl]-3-[(3-chloro-2-cyclopropyl-4-pyridinyl)sulfanyl]pyrazin-2-amine?
The InChIKey is PGUNJHLJPKWNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN6S/c1-11-10-26(7-5-13(11)8-21)15-9-24-19(18(22)25-15)27-14-4-6-23-17(16(14)20)12-2-3-12/h4,6,9,11-13H,2-3,5,7-8,10,21H2,1H3,(H2,22,25).
What are the key properties of 6-[4-(aminomethyl)-3-methylpiperidin-1-yl]-3-[(3-chloro-2-cyclopropyl-4-pyridinyl)sulfanyl]pyrazin-2-amine?
6-[4-(aminomethyl)-3-methylpiperidin-1-yl]-3-[(3-chloro-2-cyclopropyl-4-pyridinyl)sulfanyl]pyrazin-2-amine has a molecular weight of 404.97 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(aminomethyl)-3-methylpiperidin-1-yl]-3-[(3-chloro-2-cyclopropyl-4-pyridinyl)sulfanyl]pyrazin-2-amine is sourced from PubChem (CID 164860834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).