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

C16H21FN6S — CID 118249052

IUPAC6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-[(3-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-amine
SMILESCC1(CN)CCN(c2cnc(Sc3ccncc3F)c(N)n2)CC1
InChIInChI=1S/C16H21FN6S/c1-16(10-18)3-6-23(7-4-16)13-9-21-15(14(19)22-13)24-12-2-5-20-8-11(12)17/h2,5,8-9H,3-4,6-7,10,18H2,1H3,(H2,19,22)
InChIKeySZVDXLGIGHISJI-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.31
Rot. Bonds4

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

6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-[(3-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-amine (PubChem CID 118249052) has the molecular formula C16H21FN6S and a molecular weight of 348.45 g/mol. Its IUPAC name is 6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-[(3-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-[(3-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-amine
PubChem CID118249052
Molecular FormulaC16H21FN6S
Molecular Weight348.45 g/mol
Exact Mass348.15
IUPAC Name6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-[(3-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-amine
SMILESCC1(CN)CCN(c2cnc(Sc3ccncc3F)c(N)n2)CC1
InChIInChI=1S/C16H21FN6S/c1-16(10-18)3-6-23(7-4-16)13-9-21-15(14(19)22-13)24-12-2-5-20-8-11(12)17/h2,5,8-9H,3-4,6-7,10,18H2,1H3,(H2,19,22)
InChIKeySZVDXLGIGHISJI-UHFFFAOYSA-N
XLogP2.31
TPSA93.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-[(3-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-amine?
The IUPAC name of 6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-[(3-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-amine (CID 118249052) is 6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-[(3-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-amine.
What is the SMILES notation for 6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-[(3-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-amine?
The canonical SMILES for 6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-[(3-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-amine is CC1(CN)CCN(c2cnc(Sc3ccncc3F)c(N)n2)CC1.
What is the InChIKey of 6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-[(3-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-amine?
The InChIKey is SZVDXLGIGHISJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN6S/c1-16(10-18)3-6-23(7-4-16)13-9-21-15(14(19)22-13)24-12-2-5-20-8-11(12)17/h2,5,8-9H,3-4,6-7,10,18H2,1H3,(H2,19,22).
What are the key properties of 6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-[(3-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-amine?
6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-[(3-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-amine has a molecular weight of 348.45 g/mol, XLogP of 2.31, 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-[(3-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-amine is sourced from PubChem (CID 118249052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).