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

C16H21ClN6S — CID 118239456

IUPAC6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-[(2-chloro-3-pyridinyl)sulfanyl]pyrazin-2-amine
SMILESCC1(CN)CCN(c2cnc(Sc3cccnc3Cl)c(N)n2)CC1
InChIInChI=1S/C16H21ClN6S/c1-16(10-18)4-7-23(8-5-16)12-9-21-15(14(19)22-12)24-11-3-2-6-20-13(11)17/h2-3,6,9H,4-5,7-8,10,18H2,1H3,(H2,19,22)
InChIKeyIYPPWLMZTQRCAN-UHFFFAOYSA-N
MW364.91 g/mol
LogP2.82
Rot. Bonds4

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

6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-[(2-chloro-3-pyridinyl)sulfanyl]pyrazin-2-amine (PubChem CID 118239456) has the molecular formula C16H21ClN6S and a molecular weight of 364.91 g/mol. Its IUPAC name is 6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-[(2-chloro-3-pyridinyl)sulfanyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-[(2-chloro-3-pyridinyl)sulfanyl]pyrazin-2-amine
PubChem CID118239456
Molecular FormulaC16H21ClN6S
Molecular Weight364.91 g/mol
Exact Mass364.12
IUPAC Name6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-[(2-chloro-3-pyridinyl)sulfanyl]pyrazin-2-amine
SMILESCC1(CN)CCN(c2cnc(Sc3cccnc3Cl)c(N)n2)CC1
InChIInChI=1S/C16H21ClN6S/c1-16(10-18)4-7-23(8-5-16)12-9-21-15(14(19)22-12)24-11-3-2-6-20-13(11)17/h2-3,6,9H,4-5,7-8,10,18H2,1H3,(H2,19,22)
InChIKeyIYPPWLMZTQRCAN-UHFFFAOYSA-N
XLogP2.82
TPSA93.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.91
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-[(2-chloro-3-pyridinyl)sulfanyl]pyrazin-2-amine?
The IUPAC name of 6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-[(2-chloro-3-pyridinyl)sulfanyl]pyrazin-2-amine (CID 118239456) is 6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-[(2-chloro-3-pyridinyl)sulfanyl]pyrazin-2-amine.
What is the SMILES notation for 6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-[(2-chloro-3-pyridinyl)sulfanyl]pyrazin-2-amine?
The canonical SMILES for 6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-[(2-chloro-3-pyridinyl)sulfanyl]pyrazin-2-amine is CC1(CN)CCN(c2cnc(Sc3cccnc3Cl)c(N)n2)CC1.
What is the InChIKey of 6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-[(2-chloro-3-pyridinyl)sulfanyl]pyrazin-2-amine?
The InChIKey is IYPPWLMZTQRCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN6S/c1-16(10-18)4-7-23(8-5-16)12-9-21-15(14(19)22-12)24-11-3-2-6-20-13(11)17/h2-3,6,9H,4-5,7-8,10,18H2,1H3,(H2,19,22).
What are the key properties of 6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-[(2-chloro-3-pyridinyl)sulfanyl]pyrazin-2-amine?
6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-[(2-chloro-3-pyridinyl)sulfanyl]pyrazin-2-amine has a molecular weight of 364.91 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-[(2-chloro-3-pyridinyl)sulfanyl]pyrazin-2-amine is sourced from PubChem (CID 118239456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).